4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide

C20H29N3O3 — CID 136577461

IUPAC4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide
SMILESNC(=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCOCC1
InChIInChI=1S/C20H29N3O3/c21-18(24)20(8-12-26-13-9-20)15-22-19(25)23-10-6-17(7-11-23)14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H2,21,24)(H,22,25)
InChIKeyIUQHCWOLCBBVOK-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.93
Rot. Bonds5

About 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide

4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 136577461) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide
PubChem CID136577461
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide
SMILESNC(=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCOCC1
InChIInChI=1S/C20H29N3O3/c21-18(24)20(8-12-26-13-9-20)15-22-19(25)23-10-6-17(7-11-23)14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H2,21,24)(H,22,25)
InChIKeyIUQHCWOLCBBVOK-UHFFFAOYSA-N
XLogP1.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[(3R)-3-benzylpyrrolidine-1-carbonyl]oxan-4-yl]methyl]carbamate
CID 99783017
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035
4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140570
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
1-(4-benzylpiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethane-1,2-dione
CID 108985978
(4-benzylpiperidin-1-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 108989730
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 91911366
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110013386
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide (CID 136577461) is 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide is NC(=O)C1(CNC(=O)N2CCC(Cc3ccccc3)CC2)CCOCC1.
What is the InChIKey of 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is IUQHCWOLCBBVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c21-18(24)20(8-12-26-13-9-20)15-22-19(25)23-10-6-17(7-11-23)14-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H2,21,24)(H,22,25).
What are the key properties of 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide?
4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 136577461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).