2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide

C18H34N4O2 — CID 119876865

IUPAC2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(2,3)16(19)17(24)22-11-9-21(10-12-22)13-15(23)20-14-7-5-4-6-8-14/h14,16H,4-13,19H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyKQCRDMPZSSNOCO-MRXNPFEDSA-N
MW338.50 g/mol
LogP0.95
Rot. Bonds4

About 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide

2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide (PubChem CID 119876865) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
PubChem CID119876865
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H34N4O2/c1-18(2,3)16(19)17(24)22-11-9-21(10-12-22)13-15(23)20-14-7-5-4-6-8-14/h14,16H,4-13,19H2,1-3H3,(H,20,23)/t16-/m1/s1
InChIKeyKQCRDMPZSSNOCO-MRXNPFEDSA-N
XLogP0.95
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120670145
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 95934647
N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350854
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide;dihydrochloride
CID 120503708
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide (CID 119876865) is 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide is CC(C)(C)[C@H](N)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide?
The InChIKey is KQCRDMPZSSNOCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-18(2,3)16(19)17(24)22-11-9-21(10-12-22)13-15(23)20-14-7-5-4-6-8-14/h14,16H,4-13,19H2,1-3H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide?
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide has a molecular weight of 338.50 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 119876865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).