(3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide

C19H23N3O3 — CID 97215200

IUPAC(3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccco2)c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c20-19(24)15-6-4-10-21(12-15)18(23)14-22(13-17-9-5-11-25-17)16-7-2-1-3-8-16/h1-3,5,7-9,11,15H,4,6,10,12-14H2,(H2,20,24)/t15-/m0/s1
InChIKeyNWJBALHVVYVHLE-HNNXBMFYSA-N
MW341.41 g/mol
LogP2.01
Rot. Bonds6

About (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide

(3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide (PubChem CID 97215200) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide
PubChem CID97215200
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccco2)c2ccccc2)C1
InChIInChI=1S/C19H23N3O3/c20-19(24)15-6-4-10-21(12-15)18(23)14-22(13-17-9-5-11-25-17)16-7-2-1-3-8-16/h1-3,5,7-9,11,15H,4,6,10,12-14H2,(H2,20,24)/t15-/m0/s1
InChIKeyNWJBALHVVYVHLE-HNNXBMFYSA-N
XLogP2.01
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 78829146
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289
3-[furan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 82326895
(3R)-N-(2-anilino-2-oxoethyl)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 51933799
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
CID 134001299
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8648689
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
(3S)-1-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94409683

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide (CID 97215200) is (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)CN(Cc2ccco2)c2ccccc2)C1.
What is the InChIKey of (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide?
The InChIKey is NWJBALHVVYVHLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-19(24)15-6-4-10-21(12-15)18(23)14-22(13-17-9-5-11-25-17)16-7-2-1-3-8-16/h1-3,5,7-9,11,15H,4,6,10,12-14H2,(H2,20,24)/t15-/m0/s1.
What are the key properties of (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide?
(3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[N-(furan-2-ylmethyl)anilino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 97215200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).