N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide

C23H33N5O2 — CID 45489309

IUPACN-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H33N5O2/c1-3-18(2)25-23(30)27-16-13-20(14-17-27)28-21(12-15-24-28)26-22(29)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12,15,18,20H,3,7,10-11,13-14,16-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyTXVDDEKJWUCHJF-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.99
Rot. Bonds8

About N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide

N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 45489309) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID45489309
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C23H33N5O2/c1-3-18(2)25-23(30)27-16-13-20(14-17-27)28-21(12-15-24-28)26-22(29)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12,15,18,20H,3,7,10-11,13-14,16-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyTXVDDEKJWUCHJF-UHFFFAOYSA-N
XLogP3.99
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
CID 135566411
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(1-methyl-1H-pyrazol-3-yl)-urea
CID 11373714
6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231560
6-oxo-N-[(1R)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231673
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560322
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 162353383
DPP-4 ligand 16
CID 23647144
N-(1-benzyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 6458316
(1-ethylcyclobutyl)methyl N-[(3S)-1-[(2-benzylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11190260
N-(1-{1-[3-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 24790104

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide (CID 45489309) is N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide is CCC(C)NC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is TXVDDEKJWUCHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-3-18(2)25-23(30)27-16-13-20(14-17-27)28-21(12-15-24-28)26-22(29)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12,15,18,20H,3,7,10-11,13-14,16-17H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide?
N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[5-(4-phenylbutanoylamino)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 45489309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).