(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide

C13H22N2O — CID 81140775

IUPAC(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC=CCC1)[C@@H]1CCCNC1
InChIInChI=1S/C13H22N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-2,11-12,14H,3-10H2,(H,15,16)/t11?,12-/m1/s1
InChIKeyYDAITAZCMPDPTR-PIJUOVFKSA-N
MW222.33 g/mol
LogP1.46
Rot. Bonds3

About (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide

(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 81140775) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide
PubChem CID81140775
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC=CCC1)[C@@H]1CCCNC1
InChIInChI=1S/C13H22N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-2,11-12,14H,3-10H2,(H,15,16)/t11?,12-/m1/s1
InChIKeyYDAITAZCMPDPTR-PIJUOVFKSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
(3R)-N-[(3-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 106134003
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790248
(3R)-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 81128117
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide;hydrochloride
CID 119260134
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-3-carboxamide
CID 54899042

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide (CID 81140775) is (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CC=CCC1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YDAITAZCMPDPTR-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-2,11-12,14H,3-10H2,(H,15,16)/t11?,12-/m1/s1.
What are the key properties of (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide?
(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81140775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).