1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea

C17H28N4O2 — CID 110892815

IUPAC1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N4O2/c1-15(14-22)19-17(23)18-7-8-20-9-11-21(12-10-20)13-16-5-3-2-4-6-16/h2-6,15,22H,7-14H2,1H3,(H2,18,19,23)
InChIKeyYJZHPYCHDCMDFD-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.48
Rot. Bonds7

About 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea

1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110892815) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID110892815
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N4O2/c1-15(14-22)19-17(23)18-7-8-20-9-11-21(12-10-20)13-16-5-3-2-4-6-16/h2-6,15,22H,7-14H2,1H3,(H2,18,19,23)
InChIKeyYJZHPYCHDCMDFD-UHFFFAOYSA-N
XLogP0.48
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 134015009
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
CID 134014925
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99108818
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide
CID 122566205
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]urea
CID 86882059
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 55696768
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(methylamino)acetamide
CID 120703889

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea (CID 110892815) is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is YJZHPYCHDCMDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-15(14-22)19-17(23)18-7-8-20-9-11-21(12-10-20)13-16-5-3-2-4-6-16/h2-6,15,22H,7-14H2,1H3,(H2,18,19,23).
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea?
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 320.44 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110892815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).