4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

C15H23N5O2 — CID 120814064

IUPAC4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESCC1(C)CN(C(=O)C2CC(=O)N(c3cn[nH]c3)C2)CCC1N
InChIInChI=1S/C15H23N5O2/c1-15(2)9-19(4-3-12(15)16)14(22)10-5-13(21)20(8-10)11-6-17-18-7-11/h6-7,10,12H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyKHHGUZICIQDQKJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.35
Rot. Bonds2

About 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (PubChem CID 120814064) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
PubChem CID120814064
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESCC1(C)CN(C(=O)C2CC(=O)N(c3cn[nH]c3)C2)CCC1N
InChIInChI=1S/C15H23N5O2/c1-15(2)9-19(4-3-12(15)16)14(22)10-5-13(21)20(8-10)11-6-17-18-7-11/h6-7,10,12H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyKHHGUZICIQDQKJ-UHFFFAOYSA-N
XLogP0.35
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 120816794
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816701
(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124690531
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816065
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
CID 120748845
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 120816164
N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 122147798
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 120816163
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (CID 120814064) is 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is CC1(C)CN(C(=O)C2CC(=O)N(c3cn[nH]c3)C2)CCC1N.
What is the InChIKey of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is KHHGUZICIQDQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-15(2)9-19(4-3-12(15)16)14(22)10-5-13(21)20(8-10)11-6-17-18-7-11/h6-7,10,12H,3-5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 120814064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).