N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide

C19H24FN3O — CID 97061567

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCC(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C19H24FN3O/c1-19(13-21,16-4-5-16)22-18(24)12-23-10-8-15(9-11-23)14-2-6-17(20)7-3-14/h2-3,6-7,15-16H,4-5,8-12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyTXPKCPDHZHKDNJ-IBGZPJMESA-N
MW329.42 g/mol
LogP2.81
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide (PubChem CID 97061567) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
PubChem CID97061567
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCC(c2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C19H24FN3O/c1-19(13-21,16-4-5-16)22-18(24)12-23-10-8-15(9-11-23)14-2-6-17(20)7-3-14/h2-3,6-7,15-16H,4-5,8-12H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyTXPKCPDHZHKDNJ-IBGZPJMESA-N
XLogP2.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-3-methyl-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]butanamide
CID 44565239
3-({2-[(2S)-2-Cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-3-methyl-N-[trans-2-(3-fluorophenyl)cyclopropyl]butanamide
CID 44565488
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
(2R,5S)-1-(2-(1-(4-fluorophenyl)-2-methylpropan-2-ylamino)acetyl)pyrrolidine-2,5-dicarbonitrile
CID 11616857
3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 44565238
3-({2-[(2S)-2-Cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-3-methyl-N-[trans-2-(4-fluorophenyl)cyclopropyl]butanamide
CID 44565467
3-(2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-N-((trans)-2-(2,4-difluorophenyl)cyclopropyl)-3-methylbutanamide
CID 44565489
3-({2-[(2S)-2-Cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-3-methyl-N-[trans-2-(3,4-di-fluorophenyl)cyclopropyl]butanamide
CID 44565491
Cis-(2S,4S)-N-(2-benzyl-1-cyanocyclopropyl)-4-fluoropyrrolidine-2-carboxamide
CID 46882914
1-(4-ethylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67378515
2-[[(1S,2R)-2-phenylcyclopropyl]amino]-N-(piperidin-4-ylmethyl)acetamide
CID 90654145
N-[1-(dimethylamino)propan-2-yl]-2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetamide
CID 90654146

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide (CID 97061567) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide is C[C@@](C#N)(NC(=O)CN1CCC(c2ccc(F)cc2)CC1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The InChIKey is TXPKCPDHZHKDNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24FN3O/c1-19(13-21,16-4-5-16)22-18(24)12-23-10-8-15(9-11-23)14-2-6-17(20)7-3-14/h2-3,6-7,15-16H,4-5,8-12H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide has a molecular weight of 329.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 97061567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).