4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide

C22H35N3O — CID 122417522

IUPAC4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESCCC1(CCc2ccccc2)CCN(C(=O)NC2CCN(C)CC2)CC1
InChIInChI=1S/C22H35N3O/c1-3-22(12-9-19-7-5-4-6-8-19)13-17-25(18-14-22)21(26)23-20-10-15-24(2)16-11-20/h4-8,20H,3,9-18H2,1-2H3,(H,23,26)
InChIKeyGXPBNSSPLHWMEF-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.92
Rot. Bonds5

About 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide

4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 122417522) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID122417522
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
SMILESCCC1(CCc2ccccc2)CCN(C(=O)NC2CCN(C)CC2)CC1
InChIInChI=1S/C22H35N3O/c1-3-22(12-9-19-7-5-4-6-8-19)13-17-25(18-14-22)21(26)23-20-10-15-24(2)16-11-20/h4-8,20H,3,9-18H2,1-2H3,(H,23,26)
InChIKeyGXPBNSSPLHWMEF-UHFFFAOYSA-N
XLogP3.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diamino-6-chloro-N-[[1-ethyl-3-[[1-[(1-methylpiperidin-4-yl)carbamoyl]-4-(2-phenylethyl)piperidin-4-yl]methyl]benzimidazol-3-ium-2-yl]methyl]pyrazine-2-carboxamide
CID 122417511
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
ethyl 1-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 25450718
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide (CID 122417522) is 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide is CCC1(CCc2ccccc2)CCN(C(=O)NC2CCN(C)CC2)CC1.
What is the InChIKey of 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is GXPBNSSPLHWMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-3-22(12-9-19-7-5-4-6-8-19)13-17-25(18-14-22)21(26)23-20-10-15-24(2)16-11-20/h4-8,20H,3,9-18H2,1-2H3,(H,23,26).
What are the key properties of 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide?
4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 357.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122417522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).