(1-phenylpiperidin-3-yl)urea

C12H17N3O — CID 121416777

IUPAC(1-phenylpiperidin-3-yl)urea
SMILESNC(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C12H17N3O/c13-12(16)14-10-5-4-8-15(9-10)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H3,13,14,16)
InChIKeyHXSFQFCCGUVQGC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.32
Rot. Bonds2

About (1-phenylpiperidin-3-yl)urea

(1-phenylpiperidin-3-yl)urea (PubChem CID 121416777) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (1-phenylpiperidin-3-yl)urea.

Molecular Properties

Compound Name(1-phenylpiperidin-3-yl)urea
PubChem CID121416777
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(1-phenylpiperidin-3-yl)urea
SMILESNC(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C12H17N3O/c13-12(16)14-10-5-4-8-15(9-10)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H3,13,14,16)
InChIKeyHXSFQFCCGUVQGC-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
3,5-dihydroxy-N-[(3R)-1-phenylpiperidin-3-yl]benzamide
CID 99635756
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
2-fluoro-N-(1-phenylpiperidin-3-yl)benzamide
CID 136525999
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
CID 120800731
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-phenylpiperidin-3-yl)urea
CID 111631043
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
N-(1-phenylpiperidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119888760
4-methoxy-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 68873857

Frequently Asked Questions

What is the IUPAC name of (1-phenylpiperidin-3-yl)urea?
The IUPAC name of (1-phenylpiperidin-3-yl)urea (CID 121416777) is (1-phenylpiperidin-3-yl)urea.
What is the SMILES notation for (1-phenylpiperidin-3-yl)urea?
The canonical SMILES for (1-phenylpiperidin-3-yl)urea is NC(=O)NC1CCCN(c2ccccc2)C1.
What is the InChIKey of (1-phenylpiperidin-3-yl)urea?
The InChIKey is HXSFQFCCGUVQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)14-10-5-4-8-15(9-10)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H3,13,14,16).
What are the key properties of (1-phenylpiperidin-3-yl)urea?
(1-phenylpiperidin-3-yl)urea has a molecular weight of 219.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpiperidin-3-yl)urea is sourced from PubChem (CID 121416777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).