2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide

C14H25N3O2 — CID 47446704

IUPAC2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(13(15)18)16-7-9-17(10-8-16)14(19)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyPYOHPEPNSMNUJP-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.58
Rot. Bonds3

About 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide (PubChem CID 47446704) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
PubChem CID47446704
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(13(15)18)16-7-9-17(10-8-16)14(19)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyPYOHPEPNSMNUJP-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
CID 63337316
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 63337916
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(2S)-2-pyrrolidin-1-ylpropanamide
CID 39248173
2-pyrrolidin-1-ylpropanamide;dihydrochloride
CID 142642428
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 94812868
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 51094827
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide (CID 47446704) is 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide is CC(C(N)=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide?
The InChIKey is PYOHPEPNSMNUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(13(15)18)16-7-9-17(10-8-16)14(19)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H2,15,18).
What are the key properties of 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide?
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide has a molecular weight of 267.37 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47446704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).