1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

C18H30N4OS — CID 60605733

IUPAC1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESCN1CCC(NC(=O)NCC2CCCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C18H30N4OS/c1-21-9-6-16(7-10-21)20-18(23)19-12-15-4-2-8-22(13-15)14-17-5-3-11-24-17/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3,(H2,19,20,23)
InChIKeyQJUFKKXZCSSUDO-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.35
Rot. Bonds5

About 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (PubChem CID 60605733) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
PubChem CID60605733
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
SMILESCN1CCC(NC(=O)NCC2CCCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C18H30N4OS/c1-21-9-6-16(7-10-21)20-18(23)19-12-15-4-2-8-22(13-15)14-17-5-3-11-24-17/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3,(H2,19,20,23)
InChIKeyQJUFKKXZCSSUDO-UHFFFAOYSA-N
XLogP2.35
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-(1-hydroxybutan-2-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 110910670
1-cyclohexyl-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 110957380
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
2-propylsulfanyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 94819206
3-amino-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 120503386
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]butanamide;dihydrochloride
CID 119865360
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea (CID 60605733) is 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is CN1CCC(NC(=O)NCC2CCCN(Cc3cccs3)C2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
The InChIKey is QJUFKKXZCSSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-21-9-6-16(7-10-21)20-18(23)19-12-15-4-2-8-22(13-15)14-17-5-3-11-24-17/h3,5,11,15-16H,2,4,6-10,12-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea?
1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea has a molecular weight of 350.53 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea is sourced from PubChem (CID 60605733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).