(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide

C20H24ClN3O3 — CID 95094155

IUPAC(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESO=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NCc1ccco1
InChIInChI=1S/C20H24ClN3O3/c21-16-6-8-17(9-7-16)23-20(26)24-11-1-3-15(14-24)5-10-19(25)22-13-18-4-2-12-27-18/h2,4,6-9,12,15H,1,3,5,10-11,13-14H2,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyCBWGNOQDOPVOHN-HNNXBMFYSA-N
MW389.88 g/mol
LogP4.27
Rot. Bonds6

About (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide

(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 95094155) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
PubChem CID95094155
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
SMILESO=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NCc1ccco1
InChIInChI=1S/C20H24ClN3O3/c21-16-6-8-17(9-7-16)23-20(26)24-11-1-3-15(14-24)5-10-19(25)22-13-18-4-2-12-27-18/h2,4,6-9,12,15H,1,3,5,10-11,13-14H2,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyCBWGNOQDOPVOHN-HNNXBMFYSA-N
XLogP4.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094139
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3R)-3-[3-[[4-(dimethylamino)phenyl]methylamino]-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093926

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide (CID 95094155) is (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide is O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)NCc1ccco1.
What is the InChIKey of (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is CBWGNOQDOPVOHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-16-6-8-17(9-7-16)23-20(26)24-11-1-3-15(14-24)5-10-19(25)22-13-18-4-2-12-27-18/h2,4,6-9,12,15H,1,3,5,10-11,13-14H2,(H,22,25)(H,23,26)/t15-/m0/s1.
What are the key properties of (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide?
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 95094155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).