(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C17H24N4O2 — CID 95768714

IUPAC(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CN1CC1CC1
InChIInChI=1S/C17H24N4O2/c22-16-8-14(11-21(16)9-12-3-4-12)17(23)20-7-1-2-13(10-20)15-5-6-18-19-15/h5-6,12-14H,1-4,7-11H2,(H,18,19)/t13-,14-/m0/s1
InChIKeyRMTQQQRGQWTQKW-KBPBESRZSA-N
MW316.41 g/mol
LogP1.37
Rot. Bonds4

About (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95768714) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95768714
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CN1CC1CC1
InChIInChI=1S/C17H24N4O2/c22-16-8-14(11-21(16)9-12-3-4-12)17(23)20-7-1-2-13(10-20)15-5-6-18-19-15/h5-6,12-14H,1-4,7-11H2,(H,18,19)/t13-,14-/m0/s1
InChIKeyRMTQQQRGQWTQKW-KBPBESRZSA-N
XLogP1.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95778865
[(1S,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768641
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
[6-(cyclopropylmethoxy)-3-pyridinyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95781185
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95768714) is (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CN1CC1CC1.
What is the InChIKey of (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RMTQQQRGQWTQKW-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16-8-14(11-21(16)9-12-3-4-12)17(23)20-7-1-2-13(10-20)15-5-6-18-19-15/h5-6,12-14H,1-4,7-11H2,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(cyclopropylmethyl)-4-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95768714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).