1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea

C18H27N3O3 — CID 110820909

IUPAC1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-14(2)19-18(23)20-15-8-11-21(12-9-15)17(22)10-13-24-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,19,20,23)
InChIKeyXYJCCIVKOVTOKS-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.15
Rot. Bonds6

About 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea

1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 110820909) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
PubChem CID110820909
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H27N3O3/c1-14(2)19-18(23)20-15-8-11-21(12-9-15)17(22)10-13-24-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,19,20,23)
InChIKeyXYJCCIVKOVTOKS-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
2-chloroethyl N-[1-(3-phenoxypropanoyl)piperidin-4-yl]carbamate
CID 108565920
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea (CID 110820909) is 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is XYJCCIVKOVTOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(2)19-18(23)20-15-8-11-21(12-9-15)17(22)10-13-24-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea?
1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 333.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 110820909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).