N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide

C16H26N4O2 — CID 31930775

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)16(3,11-17)18-14(21)10-19-6-8-20(9-7-19)15(22)13-4-5-13/h12-13H,4-10H2,1-3H3,(H,18,21)/t16-/m1/s1
InChIKeyVLRPVZUVBHFVLL-MRXNPFEDSA-N
MW306.41 g/mol
LogP0.60
Rot. Bonds5

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide (PubChem CID 31930775) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
PubChem CID31930775
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)16(3,11-17)18-14(21)10-19-6-8-20(9-7-19)15(22)13-4-5-13/h12-13H,4-10H2,1-3H3,(H,18,21)/t16-/m1/s1
InChIKeyVLRPVZUVBHFVLL-MRXNPFEDSA-N
XLogP0.60
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
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-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78611022
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95270915
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
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]acetamide
CID 95300532

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide (CID 31930775) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
The InChIKey is VLRPVZUVBHFVLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)16(3,11-17)18-14(21)10-19-6-8-20(9-7-19)15(22)13-4-5-13/h12-13H,4-10H2,1-3H3,(H,18,21)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31930775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).