1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea

C20H27N3OS — CID 20908177

IUPAC1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H27N3OS/c1-3-22-12-10-18(11-13-22)23(15-19-5-4-14-25-19)20(24)21-17-8-6-16(2)7-9-17/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,21,24)
InChIKeyVAQNVVDIBYPKRU-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.57
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea

1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 20908177) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID20908177
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H27N3OS/c1-3-22-12-10-18(11-13-22)23(15-19-5-4-14-25-19)20(24)21-17-8-6-16(2)7-9-17/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,21,24)
InChIKeyVAQNVVDIBYPKRU-UHFFFAOYSA-N
XLogP4.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
1-cyclopropyl-3-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophen-2-ylmethyl)urea
CID 71895963
N-benzyl-2-[cyclohexyl-[(4-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3602841
3-(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 67038865
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
3-(3-methylphenyl)-1-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 17325194
3-(4-methylphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea
CID 3349072
1-cyclopropyl-3-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 42760040
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
3-(4-chlorophenyl)-1-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 90611093
N-benzyl-2-[cyclohexyl-[(4-ethylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060062

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea (CID 20908177) is 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea is CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is VAQNVVDIBYPKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-3-22-12-10-18(11-13-22)23(15-19-5-4-14-25-19)20(24)21-17-8-6-16(2)7-9-17/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea?
1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 357.52 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 20908177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).