N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide

C18H25N3O2 — CID 129423726

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](c2ccco2)C1
InChIInChI=1S/C18H25N3O2/c1-13-7-8-21(15(10-13)16-4-3-9-23-16)11-17(22)20-18(2,12-19)14-5-6-14/h3-4,9,13-15H,5-8,10-11H2,1-2H3,(H,20,22)/t13-,15-,18-/m1/s1
InChIKeyPBNNKEIHMZKYJQ-DDUZABMNSA-N
MW315.42 g/mol
LogP2.86
Rot. Bonds5

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide (PubChem CID 129423726) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide
PubChem CID129423726
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](c2ccco2)C1
InChIInChI=1S/C18H25N3O2/c1-13-7-8-21(15(10-13)16-4-3-9-23-16)11-17(22)20-18(2,12-19)14-5-6-14/h3-4,9,13-15H,5-8,10-11H2,1-2H3,(H,20,22)/t13-,15-,18-/m1/s1
InChIKeyPBNNKEIHMZKYJQ-DDUZABMNSA-N
XLogP2.86
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 99106920
2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99847485
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11923842
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 40821789
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 100844062
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944915
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7998536
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755557
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 94417458
N-(1-cyano-1-cyclopropylethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]acetamide
CID 136533412
cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
methyl (2R)-1-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835554

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide (CID 129423726) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide is C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](c2ccco2)C1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide?
The InChIKey is PBNNKEIHMZKYJQ-DDUZABMNSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-8-21(15(10-13)16-4-3-9-23-16)11-17(22)20-18(2,12-19)14-5-6-14/h3-4,9,13-15H,5-8,10-11H2,1-2H3,(H,20,22)/t13-,15-,18-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 129423726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).