(3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C20H31N5O2 — CID 72913930

IUPAC(3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C20H31N5O2/c26-19(22-7-3-11-25-18(6-8-23-25)15-4-5-15)16-12-17(14-21-13-16)20(27)24-9-1-2-10-24/h6,8,15-17,21H,1-5,7,9-14H2,(H,22,26)/t16-,17+/m1/s1
InChIKeyVEAYNAVWQXDBOO-SJORKVTESA-N
MW373.50 g/mol
LogP1.11
Rot. Bonds7

About (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 72913930) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID72913930
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name(3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C20H31N5O2/c26-19(22-7-3-11-25-18(6-8-23-25)15-4-5-15)16-12-17(14-21-13-16)20(27)24-9-1-2-10-24/h6,8,15-17,21H,1-5,7,9-14H2,(H,22,26)/t16-,17+/m1/s1
InChIKeyVEAYNAVWQXDBOO-SJORKVTESA-N
XLogP1.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 72913930) is (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(NCCCn1nccc1C1CC1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is VEAYNAVWQXDBOO-SJORKVTESA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19(22-7-3-11-25-18(6-8-23-25)15-4-5-15)16-12-17(14-21-13-16)20(27)24-9-1-2-10-24/h6,8,15-17,21H,1-5,7,9-14H2,(H,22,26)/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72913930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).