N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C26H30N4O3 — CID 60553281

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C26H30N4O3/c1-20-17-24(30(28-20)18-21-9-4-2-5-10-21)27-26(32)22-11-8-15-29(19-22)25(31)14-16-33-23-12-6-3-7-13-23/h2-7,9-10,12-13,17,22H,8,11,14-16,18-19H2,1H3,(H,27,32)
InChIKeyNHFVDOCGVFXTNY-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.89
Rot. Bonds8

About N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 60553281) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID60553281
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)n(Cc2ccccc2)n1
InChIInChI=1S/C26H30N4O3/c1-20-17-24(30(28-20)18-21-9-4-2-5-10-21)27-26(32)22-11-8-15-29(19-22)25(31)14-16-33-23-12-6-3-7-13-23/h2-7,9-10,12-13,17,22H,8,11,14-16,18-19H2,1H3,(H,27,32)
InChIKeyNHFVDOCGVFXTNY-UHFFFAOYSA-N
XLogP3.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55580302
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 55966662
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60621219
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55973182
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 60553281) is N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is NHFVDOCGVFXTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-20-17-24(30(28-20)18-21-9-4-2-5-10-21)27-26(32)22-11-8-15-29(19-22)25(31)14-16-33-23-12-6-3-7-13-23/h2-7,9-10,12-13,17,22H,8,11,14-16,18-19H2,1H3,(H,27,32).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60553281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).