(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide

C17H29N3O2 — CID 75529694

IUPAC(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H29N3O2/c1-12-7-10-19(11-8-12)17(22)14-4-3-9-20(14)15(13-5-6-13)16(21)18-2/h12-15H,3-11H2,1-2H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyJZCYWBCUPGMHFZ-LSDHHAIUSA-N
MW307.44 g/mol
LogP1.23
Rot. Bonds4

About (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide

(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 75529694) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID75529694
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H29N3O2/c1-12-7-10-19(11-8-12)17(22)14-4-3-9-20(14)15(13-5-6-13)16(21)18-2/h12-15H,3-11H2,1-2H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyJZCYWBCUPGMHFZ-LSDHHAIUSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide (CID 75529694) is (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide is CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCC(C)CC1.
What is the InChIKey of (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is JZCYWBCUPGMHFZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12-7-10-19(11-8-12)17(22)14-4-3-9-20(14)15(13-5-6-13)16(21)18-2/h12-15H,3-11H2,1-2H3,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 75529694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).