5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate

C17H25N3O4 — CID 57085900

IUPAC5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
SMILESCC(CCCO)OC(=O)N1CCNCC1c1cccc(C(N)=O)c1
InChIInChI=1S/C17H25N3O4/c1-12(4-3-9-21)24-17(23)20-8-7-19-11-15(20)13-5-2-6-14(10-13)16(18)22/h2,5-6,10,12,15,19,21H,3-4,7-9,11H2,1H3,(H2,18,22)
InChIKeyVFKHAQGUTRUBTC-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.03
Rot. Bonds6

About 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate

5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate (PubChem CID 57085900) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
PubChem CID57085900
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
SMILESCC(CCCO)OC(=O)N1CCNCC1c1cccc(C(N)=O)c1
InChIInChI=1S/C17H25N3O4/c1-12(4-3-9-21)24-17(23)20-8-7-19-11-15(20)13-5-2-6-14(10-13)16(18)22/h2,5-6,10,12,15,19,21H,3-4,7-9,11H2,1H3,(H2,18,22)
InChIKeyVFKHAQGUTRUBTC-UHFFFAOYSA-N
XLogP1.03
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate 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

5-[2-(2-carbamoylphenyl)piperazine-1-carbonyl]oxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 67599687
5-phenylmethoxypentyl 2-(3-carbamoylphenyl)piperazine-1-carboxylate
CID 67600722
3-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 120803238
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
3-[(1S,2S)-2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 59454528
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
3-[2-[(2R)-2-methylpiperazine-1-carbonyl]cyclopropyl]benzamide
CID 67541062
5-[2-(3-fluorophenyl)piperazin-1-yl]-5-oxo-N-propan-2-ylpentanamide
CID 120737953
3-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propoxy]benzamide;hydrochloride
CID 120731940
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The IUPAC name of 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate (CID 57085900) is 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate.
What is the SMILES notation for 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The canonical SMILES for 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate is CC(CCCO)OC(=O)N1CCNCC1c1cccc(C(N)=O)c1.
What is the InChIKey of 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
The InChIKey is VFKHAQGUTRUBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(4-3-9-21)24-17(23)20-8-7-19-11-15(20)13-5-2-6-14(10-13)16(18)22/h2,5-6,10,12,15,19,21H,3-4,7-9,11H2,1H3,(H2,18,22).
What are the key properties of 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate?
5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentan-2-yl 2-(3-carbamoylphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 57085900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).