(3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide

C17H23N3O2 — CID 23646021

IUPAC(3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H23N3O2/c21-16(19-11-13-6-2-1-3-7-13)14-10-15(18-12-14)17(22)20-8-4-5-9-20/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,19,21)/t14-,15-/m0/s1
InChIKeyYNOMVALJSRCJTF-GJZGRUSLSA-N
MW301.39 g/mol
LogP0.90
Rot. Bonds4

About (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide

(3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 23646021) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
PubChem CID23646021
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H23N3O2/c21-16(19-11-13-6-2-1-3-7-13)14-10-15(18-12-14)17(22)20-8-4-5-9-20/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,19,21)/t14-,15-/m0/s1
InChIKeyYNOMVALJSRCJTF-GJZGRUSLSA-N
XLogP0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide (CID 23646021) is (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide is O=C(NCc1ccccc1)[C@@H]1CN[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is YNOMVALJSRCJTF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(19-11-13-6-2-1-3-7-13)14-10-15(18-12-14)17(22)20-8-4-5-9-20/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide?
(3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-benzyl-5-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 23646021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).