N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

C28H33N3O2 — CID 43923580

IUPACN-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C28H33N3O2/c1-3-20(2)29-28(33)25-13-6-7-14-26(25)30-27(32)22-15-17-31(18-16-22)19-23-11-8-10-21-9-4-5-12-24(21)23/h4-14,20,22H,3,15-19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyALSLEFWTGHHKMA-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.22
Rot. Bonds7

About N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 43923580) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
PubChem CID43923580
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C28H33N3O2/c1-3-20(2)29-28(33)25-13-6-7-14-26(25)30-27(32)22-15-17-31(18-16-22)19-23-11-8-10-21-9-4-5-12-24(21)23/h4-14,20,22H,3,15-19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyALSLEFWTGHHKMA-UHFFFAOYSA-N
XLogP5.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923575
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926695
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
2-(cyclopropanecarbonylamino)-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 167794265
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923335
N-(3,5-dimethylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43919238
N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43920099
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (CID 43923580) is N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is CCC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ALSLEFWTGHHKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-3-20(2)29-28(33)25-13-6-7-14-26(25)30-27(32)22-15-17-31(18-16-22)19-23-11-8-10-21-9-4-5-12-24(21)23/h4-14,20,22H,3,15-19H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 43923580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).