N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide

C22H37N3O2 — CID 45207050

IUPACN-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1)C1CCCCC1
InChIInChI=1S/C22H37N3O2/c1-23(19-7-3-2-4-8-19)21(26)18-6-5-13-25(16-18)20-11-14-24(15-12-20)22(27)17-9-10-17/h17-20H,2-16H2,1H3
InChIKeyGSIVNAHWQJQXPA-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.89
Rot. Bonds4

About N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide

N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 45207050) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
PubChem CID45207050
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1)C1CCCCC1
InChIInChI=1S/C22H37N3O2/c1-23(19-7-3-2-4-8-19)21(26)18-6-5-13-25(16-18)20-11-14-24(15-12-20)22(27)17-9-10-17/h17-20H,2-16H2,1H3
InChIKeyGSIVNAHWQJQXPA-UHFFFAOYSA-N
XLogP2.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide (CID 45207050) is N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is GSIVNAHWQJQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-23(19-7-3-2-4-8-19)21(26)18-6-5-13-25(16-18)20-11-14-24(15-12-20)22(27)17-9-10-17/h17-20H,2-16H2,1H3.
What are the key properties of N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide?
N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 45207050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).