1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide

C20H32N4O3 — CID 155914685

IUPAC1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1cn(C)cn1
InChIInChI=1S/C20H32N4O3/c1-3-11-27-18-8-7-15(20(26)24-9-5-4-6-10-24)12-16(18)22-19(25)17-13-23(2)14-21-17/h13-16,18H,3-12H2,1-2H3,(H,22,25)/t15-,16+,18+/m0/s1
InChIKeyWHCVSYMNWYCBHS-LZLYRXPVSA-N
MW376.50 g/mol
LogP2.13
Rot. Bonds6

About 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide

1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide (PubChem CID 155914685) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
PubChem CID155914685
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1cn(C)cn1
InChIInChI=1S/C20H32N4O3/c1-3-11-27-18-8-7-15(20(26)24-9-5-4-6-10-24)12-16(18)22-19(25)17-13-23(2)14-21-17/h13-16,18H,3-12H2,1-2H3,(H,22,25)/t15-,16+,18+/m0/s1
InChIKeyWHCVSYMNWYCBHS-LZLYRXPVSA-N
XLogP2.13
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide (CID 155914685) is 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide is CCCO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1cn(C)cn1.
What is the InChIKey of 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
The InChIKey is WHCVSYMNWYCBHS-LZLYRXPVSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-11-27-18-8-7-15(20(26)24-9-5-4-6-10-24)12-16(18)22-19(25)17-13-23(2)14-21-17/h13-16,18H,3-12H2,1-2H3,(H,22,25)/t15-,16+,18+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide?
1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 155914685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).