N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide

C18H33N3O2 — CID 131948683

IUPACN-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCO[C@@H]1CCNC[C@@H]1NC(=O)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H33N3O2/c1-23-16-8-11-19-14-15(16)20-17(22)18(9-4-2-5-10-18)21-12-6-3-7-13-21/h15-16,19H,2-14H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyMKHVAXAYBHNVOF-JKSUJKDBSA-N
MW323.48 g/mol
LogP1.67
Rot. Bonds4

About N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide

N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131948683) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID131948683
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCO[C@@H]1CCNC[C@@H]1NC(=O)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H33N3O2/c1-23-16-8-11-19-14-15(16)20-17(22)18(9-4-2-5-10-18)21-12-6-3-7-13-21/h15-16,19H,2-14H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyMKHVAXAYBHNVOF-JKSUJKDBSA-N
XLogP1.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-piperidin-1-ylcyclopropane-1-carboxamide
CID 69234976
1-[(2-methoxycyclopentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62088973
1-amino-N-(2-methoxycyclopentyl)cyclopropane-1-carboxamide
CID 65466235
1-amino-N-(4-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 122081101
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131920628
(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057458
2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride
CID 154914605
[2-[[(3S,4R)-4-methoxypiperidin-3-yl]amino]-3-pyridinyl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154916294
4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
2-[(3S,4R)-4-[(1-morpholin-4-ylcyclohexanecarbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91760585
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 131948683) is N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide is CO[C@@H]1CCNC[C@@H]1NC(=O)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is MKHVAXAYBHNVOF-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-23-16-8-11-19-14-15(16)20-17(22)18(9-4-2-5-10-18)21-12-6-3-7-13-21/h15-16,19H,2-14H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxypiperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).