N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

C21H28ClN5O2 — CID 112831975

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1
InChIInChI=1S/C21H28ClN5O2/c1-25-9-6-23-20(25)15-26-7-4-16(5-8-26)21(28)24-18-14-17(22)2-3-19(18)27-10-12-29-13-11-27/h2-3,6,9,14,16H,4-5,7-8,10-13,15H2,1H3,(H,24,28)
InChIKeyVZFYLHYORQNJMY-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.76
Rot. Bonds5

About N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 112831975) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID112831975
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1
InChIInChI=1S/C21H28ClN5O2/c1-25-9-6-23-20(25)15-26-7-4-16(5-8-26)21(28)24-18-14-17(22)2-3-19(18)27-10-12-29-13-11-27/h2-3,6,9,14,16H,4-5,7-8,10-13,15H2,1H3,(H,24,28)
InChIKeyVZFYLHYORQNJMY-UHFFFAOYSA-N
XLogP2.76
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
CID 95291147
(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51955137
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
(3R)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136129
(3S)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136127
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
1-(benzenesulfonyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 30862286
N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 51104657
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 112845124

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 112831975) is N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is Cn1ccnc1CN1CCC(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VZFYLHYORQNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2/c1-25-9-6-23-20(25)15-26-7-4-16(5-8-26)21(28)24-18-14-17(22)2-3-19(18)27-10-12-29-13-11-27/h2-3,6,9,14,16H,4-5,7-8,10-13,15H2,1H3,(H,24,28).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 112831975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).