2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide

C22H35N3O2 — CID 60577976

IUPAC2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)NC(C)CN2CCCC(C)C2)cc1
InChIInChI=1S/C22H35N3O2/c1-4-27-20-11-9-19(10-12-20)21-8-6-14-25(21)22(26)23-18(3)16-24-13-5-7-17(2)15-24/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,23,26)
InChIKeyKNIHBSUXFAWCDN-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide

2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 60577976) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID60577976
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)NC(C)CN2CCCC(C)C2)cc1
InChIInChI=1S/C22H35N3O2/c1-4-27-20-11-9-19(10-12-20)21-8-6-14-25(21)22(26)23-18(3)16-24-13-5-7-17(2)15-24/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,23,26)
InChIKeyKNIHBSUXFAWCDN-UHFFFAOYSA-N
XLogP4.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide (CID 60577976) is 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide is CCOc1ccc(C2CCCN2C(=O)NC(C)CN2CCCC(C)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is KNIHBSUXFAWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-4-27-20-11-9-19(10-12-20)21-8-6-14-25(21)22(26)23-18(3)16-24-13-5-7-17(2)15-24/h9-12,17-18,21H,4-8,13-16H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide?
2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60577976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).