N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C18H32N2O2 — CID 109145402

IUPACN-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H32N2O2/c1-4-14(3)19-17(21)15-5-7-16(8-6-15)18(22)20-11-9-13(2)10-12-20/h13-16H,4-12H2,1-3H3,(H,19,21)
InChIKeyPZGMQNCDKMEKLO-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.97
Rot. Bonds4

About N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109145402) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109145402
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCC(C)NC(=O)C1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H32N2O2/c1-4-14(3)19-17(21)15-5-7-16(8-6-15)18(22)20-11-9-13(2)10-12-20/h13-16H,4-12H2,1-3H3,(H,19,21)
InChIKeyPZGMQNCDKMEKLO-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610
1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
cyclopropyl-[4-(pentan-3-ylamino)piperidin-1-yl]methanone
CID 43747893
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
2-(butan-2-ylamino)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 60853761

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109145402) is N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CCC(C)NC(=O)C1CCC(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is PZGMQNCDKMEKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-4-14(3)19-17(21)15-5-7-16(8-6-15)18(22)20-11-9-13(2)10-12-20/h13-16H,4-12H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109145402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).