(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide

C17H24N2O2 — CID 156839533

IUPAC(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CNC[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O2/c20-14-8-6-13(7-9-14)19-17(21)16-11-18-10-15(16)12-4-2-1-3-5-12/h1-5,13-16,18,20H,6-11H2,(H,19,21)/t13?,14?,15-,16+/m1/s1
InChIKeyONTUBUGOZURLNW-FJBKBRRZSA-N
MW288.39 g/mol
LogP1.41
Rot. Bonds3

About (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide

(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide (PubChem CID 156839533) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
PubChem CID156839533
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CNC[C@@H]1c1ccccc1
InChIInChI=1S/C17H24N2O2/c20-14-8-6-13(7-9-14)19-17(21)16-11-18-10-15(16)12-4-2-1-3-5-12/h1-5,13-16,18,20H,6-11H2,(H,19,21)/t13?,14?,15-,16+/m1/s1
InChIKeyONTUBUGOZURLNW-FJBKBRRZSA-N
XLogP1.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide (CID 156839533) is (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide is O=C(NC1CCC(O)CC1)[C@H]1CNC[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is ONTUBUGOZURLNW-FJBKBRRZSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-14-8-6-13(7-9-14)19-17(21)16-11-18-10-15(16)12-4-2-1-3-5-12/h1-5,13-16,18,20H,6-11H2,(H,19,21)/t13?,14?,15-,16+/m1/s1.
What are the key properties of (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide?
(3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(4-hydroxycyclohexyl)-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156839533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).