1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea

C20H33N3O — CID 47071760

IUPAC1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea
SMILESCC1CCCN(CC(C)NC(=O)N(C)CCCc2ccccc2)C1
InChIInChI=1S/C20H33N3O/c1-17-9-7-14-23(15-17)16-18(2)21-20(24)22(3)13-8-12-19-10-5-4-6-11-19/h4-6,10-11,17-18H,7-9,12-16H2,1-3H3,(H,21,24)
InChIKeyKXVKTZXKRIVGOF-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.38
Rot. Bonds7

About 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea

1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea (PubChem CID 47071760) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea
PubChem CID47071760
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea
SMILESCC1CCCN(CC(C)NC(=O)N(C)CCCc2ccccc2)C1
InChIInChI=1S/C20H33N3O/c1-17-9-7-14-23(15-17)16-18(2)21-20(24)22(3)13-8-12-19-10-5-4-6-11-19/h4-6,10-11,17-18H,7-9,12-16H2,1-3H3,(H,21,24)
InChIKeyKXVKTZXKRIVGOF-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)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-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-2,3-dihydroindole-1-carboxamide
CID 60576930
1-[1-(3-methylpiperidin-1-yl)propan-2-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 60577137
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
1-[[3-(methoxymethyl)phenyl]methyl]-3-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]urea
CID 100840376
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
1-benzyl-3-methylpiperidine
CID 2794856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea?
The IUPAC name of 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea (CID 47071760) is 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea.
What is the SMILES notation for 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea?
The canonical SMILES for 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea is CC1CCCN(CC(C)NC(=O)N(C)CCCc2ccccc2)C1.
What is the InChIKey of 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea?
The InChIKey is KXVKTZXKRIVGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-17-9-7-14-23(15-17)16-18(2)21-20(24)22(3)13-8-12-19-10-5-4-6-11-19/h4-6,10-11,17-18H,7-9,12-16H2,1-3H3,(H,21,24).
What are the key properties of 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea?
1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea has a molecular weight of 331.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(3-phenylpropyl)urea is sourced from PubChem (CID 47071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).