(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one

C22H29N5O2 — CID 25275352

IUPAC(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(CCn3cccn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C22H29N5O2/c28-21-6-5-19(16-26(21)17-20-4-1-2-10-23-20)22(29)25-13-7-18(8-14-25)9-15-27-12-3-11-24-27/h1-4,10-12,18-19H,5-9,13-17H2/t19-/m1/s1
InChIKeyXOEPIAGJFJNKNZ-LJQANCHMSA-N
MW395.51 g/mol
LogP2.35
Rot. Bonds6

About (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one

(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one (PubChem CID 25275352) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
PubChem CID25275352
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(CCn3cccn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C22H29N5O2/c28-21-6-5-19(16-26(21)17-20-4-1-2-10-23-20)22(29)25-13-7-18(8-14-25)9-15-27-12-3-11-24-27/h1-4,10-12,18-19H,5-9,13-17H2/t19-/m1/s1
InChIKeyXOEPIAGJFJNKNZ-LJQANCHMSA-N
XLogP2.35
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one with MolForge

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Related Compounds

5-(2,2-diethylmorpholine-4-carbonyl)-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 72919674
N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
CID 42287246
N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
CID 45179797
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70781458
(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97126858
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97110758
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one?
The IUPAC name of (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one (CID 25275352) is (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one.
What is the SMILES notation for (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one?
The canonical SMILES for (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one is O=C1CC[C@@H](C(=O)N2CCC(CCn3cccn3)CC2)CN1Cc1ccccn1.
What is the InChIKey of (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one?
The InChIKey is XOEPIAGJFJNKNZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21-6-5-19(16-26(21)17-20-4-1-2-10-23-20)22(29)25-13-7-18(8-14-25)9-15-27-12-3-11-24-27/h1-4,10-12,18-19H,5-9,13-17H2/t19-/m1/s1.
What are the key properties of (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one?
(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one has a molecular weight of 395.51 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one is sourced from PubChem (CID 25275352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).