1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C26H33ClN4O3 — CID 55436225

IUPAC1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)C1
InChIInChI=1S/C26H33ClN4O3/c27-24-6-4-22(5-7-24)25(32)31-13-1-3-23(20-31)26(33)30(19-21-8-10-28-11-9-21)14-2-12-29-15-17-34-18-16-29/h4-11,23H,1-3,12-20H2
InChIKeyIOCJDXNXEHQRJW-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.34
Rot. Bonds8

About 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 55436225) has the molecular formula C26H33ClN4O3 and a molecular weight of 485.03 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID55436225
Molecular FormulaC26H33ClN4O3
Molecular Weight485.03 g/mol
Exact Mass484.22
IUPAC Name1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)C1
InChIInChI=1S/C26H33ClN4O3/c27-24-6-4-22(5-7-24)25(32)31-13-1-3-23(20-31)26(33)30(19-21-8-10-28-11-9-21)14-2-12-29-15-17-34-18-16-29/h4-11,23H,1-3,12-20H2
InChIKeyIOCJDXNXEHQRJW-UHFFFAOYSA-N
XLogP3.34
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
2-methylpropyl 4-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate
CID 56564473
1-(4-chlorobenzoyl)-N,N-bis(2-cyanoethyl)piperidine-3-carboxamide
CID 51185593
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 17344296
1-(4-chlorobenzoyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24549508
1-(4-chlorobenzoyl)-N-(2-cyanoethyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 56534830
N-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)cyclopentanecarboxamide
CID 42701433
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 56536701
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
(3R)-1-(4-chlorobenzoyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 41154900

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 55436225) is 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IOCJDXNXEHQRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O3/c27-24-6-4-22(5-7-24)25(32)31-13-1-3-23(20-31)26(33)30(19-21-8-10-28-11-9-21)14-2-12-29-15-17-34-18-16-29/h4-11,23H,1-3,12-20H2.
What are the key properties of 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 485.03 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55436225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).