(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide

C16H21N3O3 — CID 94815039

IUPAC(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C16H21N3O3/c1-12(10-17)11-18(2)15(20)13-6-3-4-8-19(13)16(21)14-7-5-9-22-14/h5,7,9,12-13H,3-4,6,8,11H2,1-2H3/t12?,13-/m0/s1
InChIKeyQNHIAQTUCOOTGM-ABLWVSNPSA-N
MW303.36 g/mol
LogP1.89
Rot. Bonds4

About (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide

(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 94815039) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID94815039
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCC(C#N)CN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C16H21N3O3/c1-12(10-17)11-18(2)15(20)13-6-3-4-8-19(13)16(21)14-7-5-9-22-14/h5,7,9,12-13H,3-4,6,8,11H2,1-2H3/t12?,13-/m0/s1
InChIKeyQNHIAQTUCOOTGM-ABLWVSNPSA-N
XLogP1.89
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 55973868
5-[[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222428
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 55369644
1-(furan-2-carbonyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119551072
1-(furan-2-carbonyl)-N-methyl-N-(1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 165343506
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide (CID 94815039) is (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide is CC(C#N)CN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is QNHIAQTUCOOTGM-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(10-17)11-18(2)15(20)13-6-3-4-8-19(13)16(21)14-7-5-9-22-14/h5,7,9,12-13H,3-4,6,8,11H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide?
(2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-cyanopropyl]-1-(furan-2-carbonyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 94815039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).