4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol

C48H55N5O5 — CID 159048544

IUPAC4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol
SMILESNC(=O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1.O=C(O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1.OCCO
InChIInChI=1S/C23H25N3O.C23H24N2O2.C2H6O2/c24-22(27)23(25-20-10-2-1-3-11-20)13-15-26(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19;26-22(27)23(24-20-10-2-1-3-11-20)13-15-25(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19;3-1-2-4/h1-12,25H,13-17H2,(H2,24,27);1-12,24H,13-17H2,(H,26,27);3-4H,1-2H2
InChIKeyJWYSCIJOKNRZSB-UHFFFAOYSA-N
MW782.00 g/mol
LogP7.11
Rot. Bonds11

About 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol

4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol (PubChem CID 159048544) has the molecular formula C48H55N5O5 and a molecular weight of 782.00 g/mol. Its IUPAC name is 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol.

Molecular Properties

Compound Name4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol
PubChem CID159048544
Molecular FormulaC48H55N5O5
Molecular Weight782.00 g/mol
Exact Mass781.42
IUPAC Name4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol
SMILESNC(=O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1.O=C(O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1.OCCO
InChIInChI=1S/C23H25N3O.C23H24N2O2.C2H6O2/c24-22(27)23(25-20-10-2-1-3-11-20)13-15-26(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19;26-22(27)23(24-20-10-2-1-3-11-20)13-15-25(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19;3-1-2-4/h1-12,25H,13-17H2,(H2,24,27);1-12,24H,13-17H2,(H,26,27);3-4H,1-2H2
InChIKeyJWYSCIJOKNRZSB-UHFFFAOYSA-N
XLogP7.11
TPSA151.39 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 57.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol with MolForge

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Related Compounds

2-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 126697747
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
(2S)-1-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]-7-hydroxy-2,4-dimethylheptane-1,6-dione
CID 163764347
amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 146648697
methyl (4S)-5-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-methyl-5-oxopentanoate
CID 146648671
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol?
The IUPAC name of 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol (CID 159048544) is 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol.
What is the SMILES notation for 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol?
The canonical SMILES for 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol is NC(=O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1.O=C(O)C1(Nc2ccccc2)CCN(Cc2cccc3ccccc23)CC1.OCCO.
What is the InChIKey of 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol?
The InChIKey is JWYSCIJOKNRZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.C23H24N2O2.C2H6O2/c24-22(27)23(25-20-10-2-1-3-11-20)13-15-26(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19;26-22(27)23(24-20-10-2-1-3-11-20)13-15-25(16-14-23)17-19-9-6-8-18-7-4-5-12-21(18)19;3-1-2-4/h1-12,25H,13-17H2,(H2,24,27);1-12,24H,13-17H2,(H,26,27);3-4H,1-2H2.
What are the key properties of 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol?
4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol has a molecular weight of 782.00 g/mol, XLogP of 7.11, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol is sourced from PubChem (CID 159048544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).