N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C15H26N2O2 — CID 109144455

IUPACN-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-11(2)16-14(18)12-5-7-13(8-6-12)15(19)17-9-3-4-10-17/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyJKCKLAXHWPYRMK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds3

About N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109144455) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109144455
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C15H26N2O2/c1-11(2)16-14(18)12-5-7-13(8-6-12)15(19)17-9-3-4-10-17/h11-13H,3-10H2,1-2H3,(H,16,18)
InChIKeyJKCKLAXHWPYRMK-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755
1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144516
N-butan-2-yl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145402
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
N-[(1R)-1-(1-adamantyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26523138
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
N-[(2R)-but-3-yn-2-yl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99827132
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109144455) is N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CC(C)NC(=O)C1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is JKCKLAXHWPYRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)16-14(18)12-5-7-13(8-6-12)15(19)17-9-3-4-10-17/h11-13H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109144455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).