(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

C15H23N5O2 — CID 124690531

IUPAC(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESC[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1
InChIInChI=1S/C15H23N5O2/c1-10(16)11-3-2-4-19(8-11)15(22)12-5-14(21)20(9-12)13-6-17-18-7-13/h6-7,10-12H,2-5,8-9,16H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1
InChIKeyOYBMTXYIANBUPM-SDDRHHMPSA-N
MW305.38 g/mol
LogP0.35
Rot. Bonds3

About (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (PubChem CID 124690531) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
PubChem CID124690531
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESC[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1
InChIInChI=1S/C15H23N5O2/c1-10(16)11-3-2-4-19(8-11)15(22)12-5-14(21)20(9-12)13-6-17-18-7-13/h6-7,10-12H,2-5,8-9,16H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1
InChIKeyOYBMTXYIANBUPM-SDDRHHMPSA-N
XLogP0.35
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119594440
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119596516
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 119594540
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119592627
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
CID 120748845
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (CID 124690531) is (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is C[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1.
What is the InChIKey of (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is OYBMTXYIANBUPM-SDDRHHMPSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10(16)11-3-2-4-19(8-11)15(22)12-5-14(21)20(9-12)13-6-17-18-7-13/h6-7,10-12H,2-5,8-9,16H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1.
What are the key properties of (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 124690531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).