N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide

C21H21N3O2 — CID 71982071

IUPACN-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
SMILESO=C(C#Cc1ccccc1)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N3O2/c25-20(12-11-17-7-3-1-4-8-17)22-19-13-15-24(16-14-19)21(26)23-18-9-5-2-6-10-18/h1-10,19H,13-16H2,(H,22,25)(H,23,26)
InChIKeyUJGKRJKZKRTAQT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.85
Rot. Bonds2

About N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide

N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide (PubChem CID 71982071) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
PubChem CID71982071
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
SMILESO=C(C#Cc1ccccc1)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N3O2/c25-20(12-11-17-7-3-1-4-8-17)22-19-13-15-24(16-14-19)21(26)23-18-9-5-2-6-10-18/h1-10,19H,13-16H2,(H,22,25)(H,23,26)
InChIKeyUJGKRJKZKRTAQT-UHFFFAOYSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
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CID 51324376
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
CID 51088852
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
CID 119700260
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide (CID 71982071) is N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide is O=C(C#Cc1ccccc1)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide?
The InChIKey is UJGKRJKZKRTAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(12-11-17-7-3-1-4-8-17)22-19-13-15-24(16-14-19)21(26)23-18-9-5-2-6-10-18/h1-10,19H,13-16H2,(H,22,25)(H,23,26).
What are the key properties of N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide?
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 71982071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).