(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C19H28N4O2 — CID 95603206

IUPAC(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1
InChIInChI=1S/C19H28N4O2/c1-14-9-20-22(10-14)13-17-4-2-3-7-23(17)19(25)16-8-18(24)21(12-16)11-15-5-6-15/h9-10,15-17H,2-8,11-13H2,1H3/t16-,17+/m0/s1
InChIKeyYDZQLBRJIFBMRS-DLBZAZTESA-N
MW344.46 g/mol
LogP1.83
Rot. Bonds5

About (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95603206) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95603206
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1
InChIInChI=1S/C19H28N4O2/c1-14-9-20-22(10-14)13-17-4-2-3-7-23(17)19(25)16-8-18(24)21(12-16)11-15-5-6-15/h9-10,15-17H,2-8,11-13H2,1H3/t16-,17+/m0/s1
InChIKeyYDZQLBRJIFBMRS-DLBZAZTESA-N
XLogP1.83
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95353523
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336852
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56779011
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 129370169
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129448702
(4R)-1-(cyclopropylmethyl)-4-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyrrolidin-2-one
CID 97084977
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 95603206) is (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1.
What is the InChIKey of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YDZQLBRJIFBMRS-DLBZAZTESA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-9-20-22(10-14)13-17-4-2-3-7-23(17)19(25)16-8-18(24)21(12-16)11-15-5-6-15/h9-10,15-17H,2-8,11-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95603206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).