3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

C21H28N4O2 — CID 70756726

IUPAC3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(c3nccn3CC3CC3)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-27-19-8-6-16(7-9-19)13-23-21(26)25-11-2-3-18(15-25)20-22-10-12-24(20)14-17-4-5-17/h6-10,12,17-18H,2-5,11,13-15H2,1H3,(H,23,26)
InChIKeyAXYWITUTJKIMII-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.39
Rot. Bonds6

About 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 70756726) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID70756726
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(c3nccn3CC3CC3)C2)cc1
InChIInChI=1S/C21H28N4O2/c1-27-19-8-6-16(7-9-19)13-23-21(26)25-11-2-3-18(15-25)20-22-10-12-24(20)14-17-4-5-17/h6-10,12,17-18H,2-5,11,13-15H2,1H3,(H,23,26)
InChIKeyAXYWITUTJKIMII-UHFFFAOYSA-N
XLogP3.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 96576523
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 72894557
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
2-(4-chlorophenoxy)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 96581238
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
CID 70777559
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97202491
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
N-[3-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]-4-methylbenzamide
CID 97285169

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 70756726) is 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(c3nccn3CC3CC3)C2)cc1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is AXYWITUTJKIMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-19-8-6-16(7-9-19)13-23-21(26)25-11-2-3-18(15-25)20-22-10-12-24(20)14-17-4-5-17/h6-10,12,17-18H,2-5,11,13-15H2,1H3,(H,23,26).
What are the key properties of 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 70756726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).