1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea

C20H29N3O3 — CID 118776151

IUPAC1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea
SMILESCC1CCN(C(=O)c2cccc(NC(=O)NCC3CCCOC3)c2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-7-9-23(10-8-15)19(24)17-5-2-6-18(12-17)22-20(25)21-13-16-4-3-11-26-14-16/h2,5-6,12,15-16H,3-4,7-11,13-14H2,1H3,(H2,21,22,25)
InChIKeyOTPPTHBHTCCBGI-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.11
Rot. Bonds4

About 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea

1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea (PubChem CID 118776151) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea
PubChem CID118776151
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea
SMILESCC1CCN(C(=O)c2cccc(NC(=O)NCC3CCCOC3)c2)CC1
InChIInChI=1S/C20H29N3O3/c1-15-7-9-23(10-8-15)19(24)17-5-2-6-18(12-17)22-20(25)21-13-16-4-3-11-26-14-16/h2,5-6,12,15-16H,3-4,7-11,13-14H2,1H3,(H2,21,22,25)
InChIKeyOTPPTHBHTCCBGI-UHFFFAOYSA-N
XLogP3.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
4-benzoyl-N-(oxan-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 136578291
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
1-(4-fluoro-3-methylphenyl)-3-(oxan-3-ylmethyl)urea
CID 118790983
4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836359
cis-(1S,2R)-2-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28637437
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
CID 43886892
1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 171509892
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea?
The IUPAC name of 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea (CID 118776151) is 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea?
The canonical SMILES for 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea is CC1CCN(C(=O)c2cccc(NC(=O)NCC3CCCOC3)c2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea?
The InChIKey is OTPPTHBHTCCBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-7-9-23(10-8-15)19(24)17-5-2-6-18(12-17)22-20(25)21-13-16-4-3-11-26-14-16/h2,5-6,12,15-16H,3-4,7-11,13-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea?
1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea has a molecular weight of 359.47 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidine-1-carbonyl)phenyl]-3-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 118776151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).