(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide

C16H28N2O — CID 81140085

IUPAC(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H28N2O/c1-15(2)12-6-7-16(3,9-12)14(15)18-13(19)11-5-4-8-17-10-11/h11-12,14,17H,4-10H2,1-3H3,(H,18,19)/t11-,12?,14?,16?/m0/s1
InChIKeyRZCUCHHORREGGG-YWHADEOCSA-N
MW264.41 g/mol
LogP2.32
Rot. Bonds2

About (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide

(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide (PubChem CID 81140085) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
PubChem CID81140085
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C16H28N2O/c1-15(2)12-6-7-16(3,9-12)14(15)18-13(19)11-5-4-8-17-10-11/h11-12,14,17H,4-10H2,1-3H3,(H,18,19)/t11-,12?,14?,16?/m0/s1
InChIKeyRZCUCHHORREGGG-YWHADEOCSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978835
(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600
(2R,5S)-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945320
1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 82762406
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651
N-(1-ethylcyclobutyl)piperidine-3-carboxamide
CID 115734414
(3R)-N-(3,5-dimethylcyclohexyl)piperidine-3-carboxamide
CID 81134524
N-[3-(methylamino)cyclopentyl]piperidine-3-carboxamide
CID 178010430

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide (CID 81140085) is (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide is CC12CCC(C1)C(C)(C)C2NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The InChIKey is RZCUCHHORREGGG-YWHADEOCSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15(2)12-6-7-16(3,9-12)14(15)18-13(19)11-5-4-8-17-10-11/h11-12,14,17H,4-10H2,1-3H3,(H,18,19)/t11-,12?,14?,16?/m0/s1.
What are the key properties of (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
(3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide is sourced from PubChem (CID 81140085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).