(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide

C26H23ClN2O4 — CID 2111778

IUPAC(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)c3ccc(Cl)cc3)C1)oc1ccccc12
InChIInChI=1S/C26H23ClN2O4/c1-32-24-13-20-19-6-2-3-7-22(19)33-23(20)14-21(24)28-25(30)17-5-4-12-29(15-17)26(31)16-8-10-18(27)11-9-16/h2-3,6-11,13-14,17H,4-5,12,15H2,1H3,(H,28,30)/t17-/m0/s1
InChIKeySHWMDSBSMZFUSP-KRWDZBQOSA-N
MW462.93 g/mol
LogP5.74
Rot. Bonds4

About (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide

(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide (PubChem CID 2111778) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
PubChem CID2111778
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC Name(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)c3ccc(Cl)cc3)C1)oc1ccccc12
InChIInChI=1S/C26H23ClN2O4/c1-32-24-13-20-19-6-2-3-7-22(19)33-23(20)14-21(24)28-25(30)17-5-4-12-29(15-17)26(31)16-8-10-18(27)11-9-16/h2-3,6-11,13-14,17H,4-5,12,15H2,1H3,(H,28,30)/t17-/m0/s1
InChIKeySHWMDSBSMZFUSP-KRWDZBQOSA-N
XLogP5.74
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404064
1-(4-fluorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413483
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013525
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55817891
1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 24600025
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
CID 46680459
1-(2-fluorophenyl)sulfonyl-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413454
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 2161170

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide (CID 2111778) is (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide is COc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)c3ccc(Cl)cc3)C1)oc1ccccc12.
What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide?
The InChIKey is SHWMDSBSMZFUSP-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-32-24-13-20-19-6-2-3-7-22(19)33-23(20)14-21(24)28-25(30)17-5-4-12-29(15-17)26(31)16-8-10-18(27)11-9-16/h2-3,6-11,13-14,17H,4-5,12,15H2,1H3,(H,28,30)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide?
(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide has a molecular weight of 462.93 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 2111778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).