N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C20H21ClN6O — CID 56764930

IUPACN-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H21ClN6O/c21-17-3-1-15(2-4-17)12-23-20(28)16-5-8-26(9-6-16)18-11-19(25-13-24-18)27-10-7-22-14-27/h1-4,7,10-11,13-14,16H,5-6,8-9,12H2,(H,23,28)
InChIKeyAWGKTZAMPKNVBZ-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.85
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 56764930) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID56764930
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C20H21ClN6O/c21-17-3-1-15(2-4-17)12-23-20(28)16-5-8-26(9-6-16)18-11-19(25-13-24-18)27-10-7-22-14-27/h1-4,7,10-11,13-14,16H,5-6,8-9,12H2,(H,23,28)
InChIKeyAWGKTZAMPKNVBZ-UHFFFAOYSA-N
XLogP2.85
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520435
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90520324
N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892464
N-(5-chloro-2-cyanophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520351
2-(4-chlorophenyl)-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56699287
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 90520452
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 30395373
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 56764930) is N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is AWGKTZAMPKNVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c21-17-3-1-15(2-4-17)12-23-20(28)16-5-8-26(9-6-16)18-11-19(25-13-24-18)27-10-7-22-14-27/h1-4,7,10-11,13-14,16H,5-6,8-9,12H2,(H,23,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56764930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).