(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C19H30N4O2 — CID 97126858

IUPAC(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@H](C(=O)N2CCC(CCn3cccn3)CC2)CC1=O
InChIInChI=1S/C19H30N4O2/c1-19(2,3)23-14-16(13-17(23)24)18(25)21-10-5-15(6-11-21)7-12-22-9-4-8-20-22/h4,8-9,15-16H,5-7,10-14H2,1-3H3/t16-/m1/s1
InChIKeyHRQKGRSHAFKTLC-MRXNPFEDSA-N
MW346.48 g/mol
LogP2.16
Rot. Bonds4

About (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97126858) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97126858
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)(C)N1C[C@H](C(=O)N2CCC(CCn3cccn3)CC2)CC1=O
InChIInChI=1S/C19H30N4O2/c1-19(2,3)23-14-16(13-17(23)24)18(25)21-10-5-15(6-11-21)7-12-22-9-4-8-20-22/h4,8-9,15-16H,5-7,10-14H2,1-3H3/t16-/m1/s1
InChIKeyHRQKGRSHAFKTLC-MRXNPFEDSA-N
XLogP2.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70781458
1-tert-butyl-N-ethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 70767990
3-[1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-N-cyclopropylpropanamide
CID 42508719
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 17118875
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 25275352
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97110758
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
1-tert-butyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70721447
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 118789478

Frequently Asked Questions

What is the IUPAC name of (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 97126858) is (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CC(C)(C)N1C[C@H](C(=O)N2CCC(CCn3cccn3)CC2)CC1=O.
What is the InChIKey of (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HRQKGRSHAFKTLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)23-14-16(13-17(23)24)18(25)21-10-5-15(6-11-21)7-12-22-9-4-8-20-22/h4,8-9,15-16H,5-7,10-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 346.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97126858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).