(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

C22H27N3O4 — CID 34742118

IUPAC(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C22H27N3O4/c1-3-15(2)23-21(27)17-9-4-5-10-18(17)24-20(26)16-8-6-12-25(14-16)22(28)19-11-7-13-29-19/h4-5,7,9-11,13,15-16H,3,6,8,12,14H2,1-2H3,(H,23,27)(H,24,26)/t15-,16+/m0/s1
InChIKeyABTMFPPUHTXCHF-JKSUJKDBSA-N
MW397.48 g/mol
LogP3.30
Rot. Bonds6

About (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 34742118) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID34742118
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C22H27N3O4/c1-3-15(2)23-21(27)17-9-4-5-10-18(17)24-20(26)16-8-6-12-25(14-16)22(28)19-11-7-13-29-19/h4-5,7,9-11,13,15-16H,3,6,8,12,14H2,1-2H3,(H,23,27)(H,24,26)/t15-,16+/m0/s1
InChIKeyABTMFPPUHTXCHF-JKSUJKDBSA-N
XLogP3.30
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
1-(benzenesulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167754
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 46763501
N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46523711
(3S)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28636107
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133167979
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46448493
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 34742118) is (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ABTMFPPUHTXCHF-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-15(2)23-21(27)17-9-4-5-10-18(17)24-20(26)16-8-6-12-25(14-16)22(28)19-11-7-13-29-19/h4-5,7,9-11,13,15-16H,3,6,8,12,14H2,1-2H3,(H,23,27)(H,24,26)/t15-,16+/m0/s1.
What are the key properties of (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 34742118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).