1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea

C24H32N4O — CID 126507084

IUPAC1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
SMILESCCNC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O/c1-2-25-23(29)28(22-11-7-4-8-12-22)20-24(13-14-24)27-17-15-26(16-18-27)19-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3,(H,25,29)
InChIKeyRCBMVIGHFDQTFZ-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.57
Rot. Bonds7

About 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea

1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea (PubChem CID 126507084) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea.

Molecular Properties

Compound Name1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
PubChem CID126507084
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
SMILESCCNC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O/c1-2-25-23(29)28(22-11-7-4-8-12-22)20-24(13-14-24)27-17-15-26(16-18-27)19-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3,(H,25,29)
InChIKeyRCBMVIGHFDQTFZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
N-[[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371237
N-phenyl-N-[[1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]cyclopropyl]methyl]propanamide
CID 137371248
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-methoxy-N-phenylacetamide
CID 137371296
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508904
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-chloro-2-methylpropanamide
CID 139462048
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(5-fluoro-3-pyridinyl)propanamide
CID 126508959
N-[[1-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]cyclopropyl]methyl]-N-phenylpropanamide
CID 137371192

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea?
The IUPAC name of 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea (CID 126507084) is 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea.
What is the SMILES notation for 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea?
The canonical SMILES for 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea is CCNC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1.
What is the InChIKey of 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea?
The InChIKey is RCBMVIGHFDQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-2-25-23(29)28(22-11-7-4-8-12-22)20-24(13-14-24)27-17-15-26(16-18-27)19-21-9-5-3-6-10-21/h3-12H,2,13-20H2,1H3,(H,25,29).
What are the key properties of 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea?
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea has a molecular weight of 392.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea is sourced from PubChem (CID 126507084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).