[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C20H34N4O — CID 95735790

IUPAC[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC(C)C
InChIInChI=1S/C20H34N4O/c1-14(2)13-23-11-7-6-9-18(23)20(25)24-12-8-10-17(24)19-15(3)21-22(5)16(19)4/h14,17-18H,6-13H2,1-5H3/t17-,18-/m0/s1
InChIKeyRZMZHFQTAVHLIW-ROUUACIJSA-N
MW346.52 g/mol
LogP3.21
Rot. Bonds4

About [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95735790) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95735790
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC(C)C
InChIInChI=1S/C20H34N4O/c1-14(2)13-23-11-7-6-9-18(23)20(25)24-12-8-10-17(24)19-15(3)21-22(5)16(19)4/h14,17-18H,6-13H2,1-5H3/t17-,18-/m0/s1
InChIKeyRZMZHFQTAVHLIW-ROUUACIJSA-N
XLogP3.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-1-ethylpiperidin-2-yl]methanone
CID 129461445
[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2S)-1-ethylpiperidin-2-yl]methanone
CID 129461444
N-(dicyclopropylmethyl)-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95610221
2-methyl-3-pyrazol-1-yl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 71932937
2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978464
2-(cyclopropylmethylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881299
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841
(2R)-2-amino-4-methylsulfanyl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 124604355
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978348
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]methanone
CID 124681798
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95735790) is [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1CC(C)C.
What is the InChIKey of [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RZMZHFQTAVHLIW-ROUUACIJSA-N. The full InChI is InChI=1S/C20H34N4O/c1-14(2)13-23-11-7-6-9-18(23)20(25)24-12-8-10-17(24)19-15(3)21-22(5)16(19)4/h14,17-18H,6-13H2,1-5H3/t17-,18-/m0/s1.
What are the key properties of [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 346.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methylpropyl)piperidin-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95735790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).