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

C19H22N4O2 — CID 94624692

IUPAC(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C1CC[C@H](C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CN1
InChIInChI=1S/C19H22N4O2/c24-18-10-9-13(11-20-18)19(25)21-12-16-15-7-4-8-17(15)23(22-16)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,20,24)(H,21,25)/t13-/m0/s1
InChIKeyPEJFDKJDNZMRCF-ZDUSSCGKSA-N
MW338.41 g/mol
LogP1.50
Rot. Bonds4

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

(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 94624692) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID94624692
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C1CC[C@H](C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CN1
InChIInChI=1S/C19H22N4O2/c24-18-10-9-13(11-20-18)19(25)21-12-16-15-7-4-8-17(15)23(22-16)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,20,24)(H,21,25)/t13-/m0/s1
InChIKeyPEJFDKJDNZMRCF-ZDUSSCGKSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 94624692) is (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide is O=C1CC[C@H](C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CN1.
What is the InChIKey of (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PEJFDKJDNZMRCF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-10-9-13(11-20-18)19(25)21-12-16-15-7-4-8-17(15)23(22-16)14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-12H2,(H,20,24)(H,21,25)/t13-/m0/s1.
What are the key properties of (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide?
(3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-oxo-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94624692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).