1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea

C20H34N4OS — CID 122559774

IUPAC1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea
SMILESCCN1CCN(CCCNC(=O)N(Cc2ccsc2)C2CCCC2)CC1
InChIInChI=1S/C20H34N4OS/c1-2-22-11-13-23(14-12-22)10-5-9-21-20(25)24(19-6-3-4-7-19)16-18-8-15-26-17-18/h8,15,17,19H,2-7,9-14,16H2,1H3,(H,21,25)
InChIKeyAETDMPRDWNRAKT-UHFFFAOYSA-N
MW378.59 g/mol
LogP3.23
Rot. Bonds8

About 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea

1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea (PubChem CID 122559774) has the molecular formula C20H34N4OS and a molecular weight of 378.59 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea
PubChem CID122559774
Molecular FormulaC20H34N4OS
Molecular Weight378.59 g/mol
Exact Mass378.25
IUPAC Name1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea
SMILESCCN1CCN(CCCNC(=O)N(Cc2ccsc2)C2CCCC2)CC1
InChIInChI=1S/C20H34N4OS/c1-2-22-11-13-23(14-12-22)10-5-9-21-20(25)24(19-6-3-4-7-19)16-18-8-15-26-17-18/h8,15,17,19H,2-7,9-14,16H2,1H3,(H,21,25)
InChIKeyAETDMPRDWNRAKT-UHFFFAOYSA-N
XLogP3.23
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-1-(thiophen-3-ylmethyl)urea
CID 121496928
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
1-[1-(3-aminobutyl)piperidin-4-yl]-3-methoxy-1-(thiophen-3-ylmethyl)urea
CID 91283939
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
1,2-dimethyl-3-(4-pyrrolidin-1-ylbutyl)-1-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 75371815
1-cyclopentyl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(thiophen-3-ylmethyl)urea
CID 122557630
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006
1-cyclopropyl-3-[3-[(3S)-3-(hydroxymethyl)piperidin-1-yl]propyl]-1-[(3-hydroxyphenyl)methyl]urea
CID 126436449
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea (CID 122559774) is 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea is CCN1CCN(CCCNC(=O)N(Cc2ccsc2)C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea?
The InChIKey is AETDMPRDWNRAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4OS/c1-2-22-11-13-23(14-12-22)10-5-9-21-20(25)24(19-6-3-4-7-19)16-18-8-15-26-17-18/h8,15,17,19H,2-7,9-14,16H2,1H3,(H,21,25).
What are the key properties of 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea?
1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea has a molecular weight of 378.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 122559774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).