1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea

C17H24N4O2 — CID 119304245

IUPAC1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C17H24N4O2/c22-16(15-7-4-10-18-15)21-11-8-14(9-12-21)20-17(23)19-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2,(H2,19,20,23)
InChIKeyVEOPSHARFXGAQZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.55
Rot. Bonds3

About 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea

1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea (PubChem CID 119304245) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
PubChem CID119304245
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C17H24N4O2/c22-16(15-7-4-10-18-15)21-11-8-14(9-12-21)20-17(23)19-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2,(H2,19,20,23)
InChIKeyVEOPSHARFXGAQZ-UHFFFAOYSA-N
XLogP1.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119288335
N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119276101
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]acetamide
CID 103810108
1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
CID 86834895
1-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-3-phenylurea
CID 55831982
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
(4-phenoxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 60859991
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea (CID 119304245) is 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea is O=C(Nc1ccccc1)NC1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea?
The InChIKey is VEOPSHARFXGAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(15-7-4-10-18-15)21-11-8-14(9-12-21)20-17(23)19-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2,(H2,19,20,23).
What are the key properties of 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea?
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea has a molecular weight of 316.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 119304245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).