(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide

C18H25N3O — CID 100712572

IUPAC(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(c2cccnc2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H25N3O/c22-18(16-5-2-1-3-6-16)20-13-15-8-11-21(12-9-15)17-7-4-10-19-14-17/h1-2,4,7,10,14-16H,3,5-6,8-9,11-13H2,(H,20,22)/t16-/m1/s1
InChIKeySWXUKCRYLWOQCG-MRXNPFEDSA-N
MW299.42 g/mol
LogP2.77
Rot. Bonds4

About (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 100712572) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID100712572
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(c2cccnc2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C18H25N3O/c22-18(16-5-2-1-3-6-16)20-13-15-8-11-21(12-9-15)17-7-4-10-19-14-17/h1-2,4,7,10,14-16H,3,5-6,8-9,11-13H2,(H,20,22)/t16-/m1/s1
InChIKeySWXUKCRYLWOQCG-MRXNPFEDSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 98672750
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
1-(2-fluorophenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624876
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624812
methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 97040487
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94819295
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 49056636
(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 99903505

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 100712572) is (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1CCN(c2cccnc2)CC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is SWXUKCRYLWOQCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O/c22-18(16-5-2-1-3-6-16)20-13-15-8-11-21(12-9-15)17-7-4-10-19-14-17/h1-2,4,7,10,14-16H,3,5-6,8-9,11-13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100712572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).