3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C23H26N4O3 — CID 55489108

IUPAC3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H26N4O3/c28-21(24-20-12-13-20)16-8-10-19(11-9-16)25-22(29)17-5-4-14-27(15-17)23(30)26-18-6-2-1-3-7-18/h1-3,6-11,17,20H,4-5,12-15H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyXSFSQFVALQKAPV-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.46
Rot. Bonds5

About 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55489108) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55489108
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NC1CC1)c1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H26N4O3/c28-21(24-20-12-13-20)16-8-10-19(11-9-16)25-22(29)17-5-4-14-27(15-17)23(30)26-18-6-2-1-3-7-18/h1-3,6-11,17,20H,4-5,12-15H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyXSFSQFVALQKAPV-UHFFFAOYSA-N
XLogP3.46
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55489108) is 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(NC1CC1)c1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is XSFSQFVALQKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(24-20-12-13-20)16-8-10-19(11-9-16)25-22(29)17-5-4-14-27(15-17)23(30)26-18-6-2-1-3-7-18/h1-3,6-11,17,20H,4-5,12-15H2,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55489108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).