N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

C20H28N4O — CID 34944915

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESC[C@](C#N)(NC(=O)CN1CCN(CCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H28N4O/c1-20(16-21,18-7-8-18)22-19(25)15-24-13-11-23(12-14-24)10-9-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyLDKMLSYXHRSMRB-HXUWFJFHSA-N
MW340.47 g/mol
LogP1.66
Rot. Bonds7

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 34944915) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID34944915
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESC[C@](C#N)(NC(=O)CN1CCN(CCc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H28N4O/c1-20(16-21,18-7-8-18)22-19(25)15-24-13-11-23(12-14-24)10-9-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyLDKMLSYXHRSMRB-HXUWFJFHSA-N
XLogP1.66
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 78790054
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CID 8934112
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7998536
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130441
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31992247
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 7654647
4-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37193746
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
CID 97100147
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436370
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771474
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756933

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (CID 34944915) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is C[C@](C#N)(NC(=O)CN1CCN(CCc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is LDKMLSYXHRSMRB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(16-21,18-7-8-18)22-19(25)15-24-13-11-23(12-14-24)10-9-17-5-3-2-4-6-17/h2-6,18H,7-15H2,1H3,(H,22,25)/t20-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 1.66, 7 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-[4-(2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34944915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).