1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide

C22H26Cl2N2O — CID 44528937

IUPAC1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26Cl2N2O/c1-2-13-25-22(27)18-11-14-26(15-12-18)21(16-3-7-19(23)8-4-16)17-5-9-20(24)10-6-17/h3-10,18,21H,2,11-15H2,1H3,(H,25,27)
InChIKeyDBPXVSZVHBLXOF-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.32
Rot. Bonds6

About 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide

1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide (PubChem CID 44528937) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide
PubChem CID44528937
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26Cl2N2O/c1-2-13-25-22(27)18-11-14-26(15-12-18)21(16-3-7-19(23)8-4-16)17-5-9-20(24)10-6-17/h3-10,18,21H,2,11-15H2,1H3,(H,25,27)
InChIKeyDBPXVSZVHBLXOF-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Norchlorcyclizine
CID 9340
Carpropamide
CID 449402
Carpropamid
CID 153847
Uamc00039
CID 11232124
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-1-(4-chloro-phenyl)-ethyl]-amide
CID 44288646
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide (CID 44528937) is 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is DBPXVSZVHBLXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c1-2-13-25-22(27)18-11-14-26(15-12-18)21(16-3-7-19(23)8-4-16)17-5-9-20(24)10-6-17/h3-10,18,21H,2,11-15H2,1H3,(H,25,27).
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide?
1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 405.37 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 44528937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).