1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide

C17H32N2O — CID 106828147

IUPAC1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)C1(C)CCCCC1
InChIInChI=1S/C17H32N2O/c1-14(2)19(13-15-8-7-11-18-12-15)16(20)17(3)9-5-4-6-10-17/h14-15,18H,4-13H2,1-3H3
InChIKeyLKKKLKYZMNTYBC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds4

About 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide

1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 106828147) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID106828147
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)C1(C)CCCCC1
InChIInChI=1S/C17H32N2O/c1-14(2)19(13-15-8-7-11-18-12-15)16(20)17(3)9-5-4-6-10-17/h14-15,18H,4-13H2,1-3H3
InChIKeyLKKKLKYZMNTYBC-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 106629148
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
CID 106629886
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 106628870
N-(piperidin-3-ylmethyl)-N-propan-2-yl-3-pyrrolidin-1-ylpropanamide
CID 106628895
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
CID 106629118
2-ethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylhexanamide
CID 106628997
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629086
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 106828147) is 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(CC1CCCNC1)C(=O)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is LKKKLKYZMNTYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(2)19(13-15-8-7-11-18-12-15)16(20)17(3)9-5-4-6-10-17/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).