3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

C16H22Cl2N2O — CID 9473209

IUPAC3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-12-5-2-3-9-20(12)10-4-8-19-16(21)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyPXQIQYNPAWDTCG-LBPRGKRZSA-N
MW329.27 g/mol
LogP3.99
Rot. Bonds5

About 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide

3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 9473209) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
PubChem CID9473209
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCCN1CCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-12-5-2-3-9-20(12)10-4-8-19-16(21)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyPXQIQYNPAWDTCG-LBPRGKRZSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
CID 9473011
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 60589630
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide (CID 9473209) is 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is C[C@H]1CCCCN1CCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is PXQIQYNPAWDTCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-12-5-2-3-9-20(12)10-4-8-19-16(21)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide?
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 329.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 9473209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).