1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide

C25H29ClN4O — CID 133159185

IUPAC1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide
SMILESO=C(NCCCNc1ccnc2cc(Cl)ccc12)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H29ClN4O/c26-21-9-10-22-23(11-14-28-24(22)16-21)27-12-5-13-29-25(31)20-8-4-15-30(18-20)17-19-6-2-1-3-7-19/h1-3,6-7,9-11,14,16,20H,4-5,8,12-13,15,17-18H2,(H,27,28)(H,29,31)
InChIKeyBMVHSNLKXVZXQP-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.72
Rot. Bonds8

About 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide

1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide (PubChem CID 133159185) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide
PubChem CID133159185
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide
SMILESO=C(NCCCNc1ccnc2cc(Cl)ccc12)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H29ClN4O/c26-21-9-10-22-23(11-14-28-24(22)16-21)27-12-5-13-29-25(31)20-8-4-15-30(18-20)17-19-6-2-1-3-7-19/h1-3,6-7,9-11,14,16,20H,4-5,8,12-13,15,17-18H2,(H,27,28)(H,29,31)
InChIKeyBMVHSNLKXVZXQP-UHFFFAOYSA-N
XLogP4.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[(4-chlorophenyl)methyl]-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 100777789
(3S)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 125047802
(3R)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779895
(3S)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125048226
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide
CID 133163531
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
(3S)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125050297
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-4-carboxamide
CID 100800020
1-(4-chlorophenyl)sulfonyl-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 100798913
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159770

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide (CID 133159185) is 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide is O=C(NCCCNc1ccnc2cc(Cl)ccc12)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide?
The InChIKey is BMVHSNLKXVZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-21-9-10-22-23(11-14-28-24(22)16-21)27-12-5-13-29-25(31)20-8-4-15-30(18-20)17-19-6-2-1-3-7-19/h1-3,6-7,9-11,14,16,20H,4-5,8,12-13,15,17-18H2,(H,27,28)(H,29,31).
What are the key properties of 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide?
1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide has a molecular weight of 436.99 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 133159185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).