1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

C19H26ClN5O — CID 155879157

IUPAC1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN5O/c1-23(2)18(26)19(22-17-7-10-21-24(17)3)8-11-25(12-9-19)14-15-5-4-6-16(20)13-15/h4-7,10,13,22H,8-9,11-12,14H2,1-3H3
InChIKeyBHKAEWNAMGTITH-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.61
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155879157) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155879157
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN5O/c1-23(2)18(26)19(22-17-7-10-21-24(17)3)8-11-25(12-9-19)14-15-5-4-6-16(20)13-15/h4-7,10,13,22H,8-9,11-12,14H2,1-3H3
InChIKeyBHKAEWNAMGTITH-UHFFFAOYSA-N
XLogP2.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155879157) is 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is CN(C)C(=O)C1(Nc2ccnn2C)CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is BHKAEWNAMGTITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-23(2)18(26)19(22-17-7-10-21-24(17)3)8-11-25(12-9-19)14-15-5-4-6-16(20)13-15/h4-7,10,13,22H,8-9,11-12,14H2,1-3H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N,N-dimethyl-4-[(2-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155879157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).