N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide

C18H31N5O2 — CID 95900073

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C18H31N5O2/c1-15(2)18(3,14-19)20-16(24)12-21-8-10-22(11-9-21)13-17(25)23-6-4-5-7-23/h15H,4-13H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyFJRMDEAQVHDMMA-SFHVURJKSA-N
MW349.48 g/mol
LogP0.28
Rot. Bonds6

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 95900073) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID95900073
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C18H31N5O2/c1-15(2)18(3,14-19)20-16(24)12-21-8-10-22(11-9-21)13-17(25)23-6-4-5-7-23/h15H,4-13H2,1-3H3,(H,20,24)/t18-/m0/s1
InChIKeyFJRMDEAQVHDMMA-SFHVURJKSA-N
XLogP0.28
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 51227036
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78611022
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-tert-butylacetamide
CID 78808255
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407960
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877421
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606007
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95324163
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]acetamide
CID 52523327

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide (CID 95900073) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide is CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is FJRMDEAQVHDMMA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15(2)18(3,14-19)20-16(24)12-21-8-10-22(11-9-21)13-17(25)23-6-4-5-7-23/h15H,4-13H2,1-3H3,(H,20,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 95900073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).