N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide

C16H27N3O2 — CID 63121651

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCN(C(=O)C3CC3)CC2)CCNCC1
InChIInChI=1S/C16H27N3O2/c1-16(6-8-17-9-7-16)15(21)18-13-4-10-19(11-5-13)14(20)12-2-3-12/h12-13,17H,2-11H2,1H3,(H,18,21)
InChIKeyCTHCPFKRDUYOEB-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.89
Rot. Bonds3

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 63121651) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide
PubChem CID63121651
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)NC2CCN(C(=O)C3CC3)CC2)CCNCC1
InChIInChI=1S/C16H27N3O2/c1-16(6-8-17-9-7-16)15(21)18-13-4-10-19(11-5-13)14(20)12-2-3-12/h12-13,17H,2-11H2,1H3,(H,18,21)
InChIKeyCTHCPFKRDUYOEB-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide
CID 63121640
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-4-carboxamide
CID 55179292
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 43711892
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
N-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]propanamide
CID 63122079
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methylcyclopentane-1-carboxamide
CID 82765258
N-(4-ethylcyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63122348
1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119278564
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
4-methyl-N-(4-propylcyclohexyl)piperidine-4-carboxamide
CID 63122402
1-cyclohexyl-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]urea
CID 119304273
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide (CID 63121651) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)NC2CCN(C(=O)C3CC3)CC2)CCNCC1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is CTHCPFKRDUYOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(6-8-17-9-7-16)15(21)18-13-4-10-19(11-5-13)14(20)12-2-3-12/h12-13,17H,2-11H2,1H3,(H,18,21).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).