1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea

C16H25N3OS — CID 91659891

IUPAC1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
SMILESCC1(NC(=O)NC2CCN(Cc3ccsc3)CC2)CCC1
InChIInChI=1S/C16H25N3OS/c1-16(6-2-7-16)18-15(20)17-14-3-8-19(9-4-14)11-13-5-10-21-12-13/h5,10,12,14H,2-4,6-9,11H2,1H3,(H2,17,18,20)
InChIKeyMYLGMRKPZFPIRK-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.95
Rot. Bonds4

About 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea

1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea (PubChem CID 91659891) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
PubChem CID91659891
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
SMILESCC1(NC(=O)NC2CCN(Cc3ccsc3)CC2)CCC1
InChIInChI=1S/C16H25N3OS/c1-16(6-2-7-16)18-15(20)17-14-3-8-19(9-4-14)11-13-5-10-21-12-13/h5,10,12,14H,2-4,6-9,11H2,1H3,(H2,17,18,20)
InChIKeyMYLGMRKPZFPIRK-UHFFFAOYSA-N
XLogP2.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea 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

1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
1-[[(1S,3S)-3-hydroxycyclopentyl]methyl]-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
CID 100687480
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea
CID 98897633
N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 118742419
1-tert-butyl-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 121057602
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 47024260
2-methoxy-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 62592940
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea (CID 91659891) is 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea is CC1(NC(=O)NC2CCN(Cc3ccsc3)CC2)CCC1.
What is the InChIKey of 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea?
The InChIKey is MYLGMRKPZFPIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-16(6-2-7-16)18-15(20)17-14-3-8-19(9-4-14)11-13-5-10-21-12-13/h5,10,12,14H,2-4,6-9,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea?
1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea has a molecular weight of 307.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 91659891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).