(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide

C23H21ClN2O4 — CID 94672087

IUPAC(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)ccc12
InChIInChI=1S/C23H21ClN2O4/c1-14-11-21(27)30-20-12-18(8-9-19(14)20)25-22(28)16-3-2-10-26(13-16)23(29)15-4-6-17(24)7-5-15/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyXRECCEAHLRMDAS-MRXNPFEDSA-N
MW424.88 g/mol
LogP4.25
Rot. Bonds3

About (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide

(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide (PubChem CID 94672087) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
PubChem CID94672087
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)ccc12
InChIInChI=1S/C23H21ClN2O4/c1-14-11-21(27)30-20-12-18(8-9-19(14)20)25-22(28)16-3-2-10-26(13-16)23(29)15-4-6-17(24)7-5-15/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyXRECCEAHLRMDAS-MRXNPFEDSA-N
XLogP4.25
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(7-acetamido-2-oxochromen-4-yl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 94962223
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide (CID 94672087) is (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)ccc12.
What is the InChIKey of (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
The InChIKey is XRECCEAHLRMDAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-14-11-21(27)30-20-12-18(8-9-19(14)20)25-22(28)16-3-2-10-26(13-16)23(29)15-4-6-17(24)7-5-15/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide?
(3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide has a molecular weight of 424.88 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorobenzoyl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94672087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).