3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide

C19H21Cl2N3O — CID 119883504

IUPAC3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
SMILESNc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21Cl2N3O/c20-17-5-4-13(10-18(17)21)12-24-8-6-16(7-9-24)23-19(25)14-2-1-3-15(22)11-14/h1-5,10-11,16H,6-9,12,22H2,(H,23,25)
InChIKeyJQGQGXQKHYPECD-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.97
Rot. Bonds4

About 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide

3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 119883504) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID119883504
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
SMILESNc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21Cl2N3O/c20-17-5-4-13(10-18(17)21)12-24-8-6-16(7-9-24)23-19(25)14-2-1-3-15(22)11-14/h1-5,10-11,16H,6-9,12,22H2,(H,23,25)
InChIKeyJQGQGXQKHYPECD-UHFFFAOYSA-N
XLogP3.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
3-amino-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]benzamide
CID 119888128
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883491
1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-(3-hydroxypropyl)urea
CID 136524530

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide (CID 119883504) is 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide is Nc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is JQGQGXQKHYPECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-17-5-4-13(10-18(17)21)12-24-8-6-16(7-9-24)23-19(25)14-2-1-3-15(22)11-14/h1-5,10-11,16H,6-9,12,22H2,(H,23,25).
What are the key properties of 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide?
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 378.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 119883504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).