N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide

C26H33N3O3 — CID 126577362

IUPACN-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide
SMILESO=C(NCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H33N3O3/c30-25(29-19-14-22(15-20-29)28-17-5-2-6-18-28)13-16-27-26(31)21-9-11-24(12-10-21)32-23-7-3-1-4-8-23/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,27,31)
InChIKeyDEXXBKVSJLGUPN-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.08
Rot. Bonds7

About N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide

N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide (PubChem CID 126577362) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide
PubChem CID126577362
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide
SMILESO=C(NCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H33N3O3/c30-25(29-19-14-22(15-20-29)28-17-5-2-6-18-28)13-16-27-26(31)21-9-11-24(12-10-21)32-23-7-3-1-4-8-23/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,27,31)
InChIKeyDEXXBKVSJLGUPN-UHFFFAOYSA-N
XLogP4.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 138038376
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 120994616

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide?
The IUPAC name of N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide (CID 126577362) is N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide?
The canonical SMILES for N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide is O=C(NCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide?
The InChIKey is DEXXBKVSJLGUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-25(29-19-14-22(15-20-29)28-17-5-2-6-18-28)13-16-27-26(31)21-9-11-24(12-10-21)32-23-7-3-1-4-8-23/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,27,31).
What are the key properties of N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide?
N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide has a molecular weight of 435.57 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-4-phenoxybenzamide is sourced from PubChem (CID 126577362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).