N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide

C24H34N4O2 — CID 49230064

IUPACN-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1
InChIInChI=1S/C24H34N4O2/c1-2-30-17-7-14-25-24(29)19-12-15-27(16-13-19)18-22-21-10-6-11-23(21)28(26-22)20-8-4-3-5-9-20/h3-5,8-9,19H,2,6-7,10-18H2,1H3,(H,25,29)
InChIKeyFPAAGQSOPPGDHL-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.12
Rot. Bonds9

About N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 49230064) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID49230064
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1
InChIInChI=1S/C24H34N4O2/c1-2-30-17-7-14-25-24(29)19-12-15-27(16-13-19)18-22-21-10-6-11-23(21)28(26-22)20-8-4-3-5-9-20/h3-5,8-9,19H,2,6-7,10-18H2,1H3,(H,25,29)
InChIKeyFPAAGQSOPPGDHL-UHFFFAOYSA-N
XLogP3.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 119904476
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 47081061
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 55663692
1-(benzenesulfonyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 55863203
(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 122120805
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975
N-(2-aminoethyl)-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480197
(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 94624692
N-[3-(methylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119430820
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide (CID 49230064) is N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is FPAAGQSOPPGDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-2-30-17-7-14-25-24(29)19-12-15-27(16-13-19)18-22-21-10-6-11-23(21)28(26-22)20-8-4-3-5-9-20/h3-5,8-9,19H,2,6-7,10-18H2,1H3,(H,25,29).
What are the key properties of N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 49230064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).