1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide

C21H28N4O3 — CID 60562229

IUPAC1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C21H28N4O3/c1-16(2)25-19(10-12-22-25)23-21(27)17-7-6-13-24(15-17)20(26)11-14-28-18-8-4-3-5-9-18/h3-5,8-10,12,16-17H,6-7,11,13-15H2,1-2H3,(H,23,27)
InChIKeyGSUUUVNQWGXPSE-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.11
Rot. Bonds7

About 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide

1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 60562229) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID60562229
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C21H28N4O3/c1-16(2)25-19(10-12-22-25)23-21(27)17-7-6-13-24(15-17)20(26)11-14-28-18-8-4-3-5-9-18/h3-5,8-10,12,16-17H,6-7,11,13-15H2,1-2H3,(H,23,27)
InChIKeyGSUUUVNQWGXPSE-UHFFFAOYSA-N
XLogP3.11
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553281
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
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
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
(3S)-N-[2-(2,2-diethoxyethoxy)ethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 99797772
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55966537

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide (CID 60562229) is 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide is CC(C)n1nccc1NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is GSUUUVNQWGXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-16(2)25-19(10-12-22-25)23-21(27)17-7-6-13-24(15-17)20(26)11-14-28-18-8-4-3-5-9-18/h3-5,8-10,12,16-17H,6-7,11,13-15H2,1-2H3,(H,23,27).
What are the key properties of 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide?
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 60562229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).