N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide

C26H31ClN4O3 — CID 16613398

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)Nc1ccccc1
InChIInChI=1S/C26H31ClN4O3/c27-21-10-8-19(9-11-21)26(34)31-14-4-5-20(17-31)25(33)29-23-12-15-30(16-13-23)18-24(32)28-22-6-2-1-3-7-22/h1-3,6-11,20,23H,4-5,12-18H2,(H,28,32)(H,29,33)
InChIKeyYADZSVNDYFEXMI-UHFFFAOYSA-N
MW483.01 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 16613398) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID16613398
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)Nc1ccccc1
InChIInChI=1S/C26H31ClN4O3/c27-21-10-8-19(9-11-21)26(34)31-14-4-5-20(17-31)25(33)29-23-12-15-30(16-13-23)18-24(32)28-22-6-2-1-3-7-22/h1-3,6-11,20,23H,4-5,12-18H2,(H,28,32)(H,29,33)
InChIKeyYADZSVNDYFEXMI-UHFFFAOYSA-N
XLogP3.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-(1-benzylpiperidin-4-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404586
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46384471
1-(4-chlorobenzoyl)-N-(3-hydroxycyclobutyl)piperidine-3-carboxamide
CID 154802579
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide (CID 16613398) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide is O=C(CN1CCC(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is YADZSVNDYFEXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c27-21-10-8-19(9-11-21)26(34)31-14-4-5-20(17-31)25(33)29-23-12-15-30(16-13-23)18-24(32)28-22-6-2-1-3-7-22/h1-3,6-11,20,23H,4-5,12-18H2,(H,28,32)(H,29,33).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 483.01 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 16613398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).