1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea

C17H29N3OS — CID 95967477

IUPAC1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
SMILESC[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)Cc1cccs1
InChIInChI=1S/C17H29N3OS/c1-14(10-16-7-5-9-22-16)11-18-17(21)20(3)13-15-6-4-8-19(2)12-15/h5,7,9,14-15H,4,6,8,10-13H2,1-3H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyYEWJXCMZLHDZAY-LSDHHAIUSA-N
MW323.51 g/mol
LogP2.91
Rot. Bonds6

About 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea

1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea (PubChem CID 95967477) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
PubChem CID95967477
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
SMILESC[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)Cc1cccs1
InChIInChI=1S/C17H29N3OS/c1-14(10-16-7-5-9-22-16)11-18-17(21)20(3)13-15-6-4-8-19(2)12-15/h5,7,9,14-15H,4,6,8,10-13H2,1-3H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyYEWJXCMZLHDZAY-LSDHHAIUSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967512
(2R)-2-(hydroxymethyl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 95967500
3-[[(4-methylphenyl)carbamoylamino]methyl]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 166183031
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
CID 126437217
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
1-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
CID 124744508
1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 71990557
1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
CID 97020397
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
CID 97227031
2-methyl-1-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111673556
1-[(2-chlorophenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49260983
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea (CID 95967477) is 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea is C[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)Cc1cccs1.
What is the InChIKey of 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
The InChIKey is YEWJXCMZLHDZAY-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-14(10-16-7-5-9-22-16)11-18-17(21)20(3)13-15-6-4-8-19(2)12-15/h5,7,9,14-15H,4,6,8,10-13H2,1-3H3,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea?
1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea has a molecular weight of 323.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 95967477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).