2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide

C16H29N3O2 — CID 95159173

IUPAC2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide
SMILESC[C@H](CC(=O)N1CCN(CC(N)=O)CC1)C1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-13(14-5-3-2-4-6-14)11-16(21)19-9-7-18(8-10-19)12-15(17)20/h13-14H,2-12H2,1H3,(H2,17,20)/t13-/m1/s1
InChIKeyNVAXCDONUHWZAL-CYBMUJFWSA-N
MW295.43 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide

2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide (PubChem CID 95159173) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide
PubChem CID95159173
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide
SMILESC[C@H](CC(=O)N1CCN(CC(N)=O)CC1)C1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-13(14-5-3-2-4-6-14)11-16(21)19-9-7-18(8-10-19)12-15(17)20/h13-14H,2-12H2,1H3,(H2,17,20)/t13-/m1/s1
InChIKeyNVAXCDONUHWZAL-CYBMUJFWSA-N
XLogP1.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
2-[4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 60963214
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119859713
2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 54873492
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyclohexylbutan-1-one
CID 120658262
3-cyclohexyl-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 119638791
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 54873506

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide (CID 95159173) is 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide is C[C@H](CC(=O)N1CCN(CC(N)=O)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide?
The InChIKey is NVAXCDONUHWZAL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(14-5-3-2-4-6-14)11-16(21)19-9-7-18(8-10-19)12-15(17)20/h13-14H,2-12H2,1H3,(H2,17,20)/t13-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide?
2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95159173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).