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

C16H27N3O2 — CID 75529698

IUPAC(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-17-15(20)14(12-7-8-12)19-11-5-6-13(19)16(21)18-9-3-2-4-10-18/h12-14H,2-11H2,1H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyLIIKIQRVDHPJGF-UONOGXRCSA-N
MW293.41 g/mol
LogP0.99
Rot. Bonds4

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

(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 75529698) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID75529698
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCCCC1
InChIInChI=1S/C16H27N3O2/c1-17-15(20)14(12-7-8-12)19-11-5-6-13(19)16(21)18-9-3-2-4-10-18/h12-14H,2-11H2,1H3,(H,17,20)/t13-,14+/m0/s1
InChIKeyLIIKIQRVDHPJGF-UONOGXRCSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.99
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-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide (CID 75529698) is (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide is CNC(=O)[C@@H](C1CC1)N1CCC[C@H]1C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is LIIKIQRVDHPJGF-UONOGXRCSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-15(20)14(12-7-8-12)19-11-5-6-13(19)16(21)18-9-3-2-4-10-18/h12-14H,2-11H2,1H3,(H,17,20)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide?
(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 0.99, 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-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 75529698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).