N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide

C27H31N5O4 — CID 55882997

IUPACN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1
InChIInChI=1S/C27H31N5O4/c1-4-23(33)31-15-9-11-20(17-31)26(35)28-21-12-8-10-19(16-21)25(34)29-24-18(2)30(3)32(27(24)36)22-13-6-5-7-14-22/h5-8,10,12-14,16,20H,4,9,11,15,17H2,1-3H3,(H,28,35)(H,29,34)
InChIKeyBUQFGTNOLDDUQG-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.32
Rot. Bonds6

About N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide

N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 55882997) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID55882997
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC NameN-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1
InChIInChI=1S/C27H31N5O4/c1-4-23(33)31-15-9-11-20(17-31)26(35)28-21-12-8-10-19(16-21)25(34)29-24-18(2)30(3)32(27(24)36)22-13-6-5-7-14-22/h5-8,10,12-14,16,20H,4,9,11,15,17H2,1-3H3,(H,28,35)(H,29,34)
InChIKeyBUQFGTNOLDDUQG-UHFFFAOYSA-N
XLogP3.32
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 55631175
(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 9466733
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 56508448
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-ethylphenyl)carbamothioylamino]benzamide
CID 23737667
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 41324581
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
tert-butyl N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 29197905
(3S)-1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 39877381
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2992617
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azocane-1-carbothioamide
CID 23771135

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide (CID 55882997) is N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)C1.
What is the InChIKey of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is BUQFGTNOLDDUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-4-23(33)31-15-9-11-20(17-31)26(35)28-21-12-8-10-19(16-21)25(34)29-24-18(2)30(3)32(27(24)36)22-13-6-5-7-14-22/h5-8,10,12-14,16,20H,4,9,11,15,17H2,1-3H3,(H,28,35)(H,29,34).
What are the key properties of N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide?
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55882997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).