N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide

C28H34N4O2 — CID 55814815

IUPACN-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H34N4O2/c1-31(18-8-13-25-21-26(30-29-25)23-11-6-3-7-12-23)28(34)24-16-19-32(20-17-24)27(33)15-14-22-9-4-2-5-10-22/h2-7,9-12,21,24H,8,13-20H2,1H3,(H,29,30)
InChIKeyDKSISYBOEPXDLB-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.34
Rot. Bonds9

About N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide

N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide (PubChem CID 55814815) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
PubChem CID55814815
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C28H34N4O2/c1-31(18-8-13-25-21-26(30-29-25)23-11-6-3-7-12-23)28(34)24-16-19-32(20-17-24)27(33)15-14-22-9-4-2-5-10-22/h2-7,9-12,21,24H,8,13-20H2,1H3,(H,29,30)
InChIKeyDKSISYBOEPXDLB-UHFFFAOYSA-N
XLogP4.34
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
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2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide
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N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
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N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
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N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
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5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 87046423
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
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3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide (CID 55814815) is N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide?
The InChIKey is DKSISYBOEPXDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-31(18-8-13-25-21-26(30-29-25)23-11-6-3-7-12-23)28(34)24-16-19-32(20-17-24)27(33)15-14-22-9-4-2-5-10-22/h2-7,9-12,21,24H,8,13-20H2,1H3,(H,29,30).
What are the key properties of N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide?
N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenylpropanoyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55814815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).