N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide

C19H27N3O2 — CID 99843263

IUPACN-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(21-13-15-5-2-1-3-6-15)16-8-11-22(12-9-16)19(24)17-7-4-10-20-14-17/h1-3,5-6,16-17,20H,4,7-14H2,(H,21,23)/t17-/m1/s1
InChIKeyJRUUXOGYVUVYTF-QGZVFWFLSA-N
MW329.44 g/mol
LogP1.54
Rot. Bonds4

About N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide

N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 99843263) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID99843263
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(21-13-15-5-2-1-3-6-15)16-8-11-22(12-9-16)19(24)17-7-4-10-20-14-17/h1-3,5-6,16-17,20H,4,7-14H2,(H,21,23)/t17-/m1/s1
InChIKeyJRUUXOGYVUVYTF-QGZVFWFLSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003
N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119692936
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
CID 24654786
(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119316139
benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
CID 142544964
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide (CID 99843263) is N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCCNC2)CC1.
What is the InChIKey of N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is JRUUXOGYVUVYTF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(21-13-15-5-2-1-3-6-15)16-8-11-22(12-9-16)19(24)17-7-4-10-20-14-17/h1-3,5-6,16-17,20H,4,7-14H2,(H,21,23)/t17-/m1/s1.
What are the key properties of N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide?
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 99843263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).