2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide

C22H28ClN3O — CID 26464004

IUPAC2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCCCN2CCCCC2)c1)c1ccccc1Cl
InChIInChI=1S/C22H28ClN3O/c23-21-11-3-2-10-20(21)22(27)25-19-9-6-8-18(16-19)17-24-12-7-15-26-13-4-1-5-14-26/h2-3,6,8-11,16,24H,1,4-5,7,12-15,17H2,(H,25,27)
InChIKeySWBNFISFKPNXRV-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.56
Rot. Bonds8

About 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide

2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide (PubChem CID 26464004) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide
PubChem CID26464004
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCCCN2CCCCC2)c1)c1ccccc1Cl
InChIInChI=1S/C22H28ClN3O/c23-21-11-3-2-10-20(21)22(27)25-19-9-6-8-18(16-19)17-24-12-7-15-26-13-4-1-5-14-26/h2-3,6,8-11,16,24H,1,4-5,7,12-15,17H2,(H,25,27)
InChIKeySWBNFISFKPNXRV-UHFFFAOYSA-N
XLogP4.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide (CID 26464004) is 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide is O=C(Nc1cccc(CNCCCN2CCCCC2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide?
The InChIKey is SWBNFISFKPNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c23-21-11-3-2-10-20(21)22(27)25-19-9-6-8-18(16-19)17-24-12-7-15-26-13-4-1-5-14-26/h2-3,6,8-11,16,24H,1,4-5,7,12-15,17H2,(H,25,27).
What are the key properties of 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide?
2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide has a molecular weight of 385.94 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3-piperidin-1-ylpropylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 26464004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).