1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

C27H33N3O4 — CID 55966129

IUPAC1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C27H33N3O4/c31-25(15-19-34-24-11-5-2-6-12-24)30-16-7-8-22(20-30)27(33)29-17-13-21(14-18-29)26(32)28-23-9-3-1-4-10-23/h1-6,9-12,21-22H,7-8,13-20H2,(H,28,32)
InChIKeyQTCZNLGJGKLKSF-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.57
Rot. Bonds7

About 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55966129) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55966129
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C27H33N3O4/c31-25(15-19-34-24-11-5-2-6-12-24)30-16-7-8-22(20-30)27(33)29-17-13-21(14-18-29)26(32)28-23-9-3-1-4-10-23/h1-6,9-12,21-22H,7-8,13-20H2,(H,28,32)
InChIKeyQTCZNLGJGKLKSF-UHFFFAOYSA-N
XLogP3.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119417899
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 55966129) is 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1.
What is the InChIKey of 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is QTCZNLGJGKLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c31-25(15-19-34-24-11-5-2-6-12-24)30-16-7-8-22(20-30)27(33)29-17-13-21(14-18-29)26(32)28-23-9-3-1-4-10-23/h1-6,9-12,21-22H,7-8,13-20H2,(H,28,32).
What are the key properties of 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55966129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).