N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

C21H25N3O3 — CID 118765639

IUPACN-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(23-10-1-2-11-23)16-8-12-24(13-9-16)21(26)22-18-6-3-5-17(15-18)19-7-4-14-27-19/h3-7,14-16H,1-2,8-13H2,(H,22,26)
InChIKeyMOUNJHKUWCYWFT-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.81
Rot. Bonds3

About N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 118765639) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
PubChem CID118765639
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(23-10-1-2-11-23)16-8-12-24(13-9-16)21(26)22-18-6-3-5-17(15-18)19-7-4-14-27-19/h3-7,14-16H,1-2,8-13H2,(H,22,26)
InChIKeyMOUNJHKUWCYWFT-UHFFFAOYSA-N
XLogP3.81
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide (CID 118765639) is N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide is O=C(Nc1cccc(-c2ccco2)c1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is MOUNJHKUWCYWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(23-10-1-2-11-23)16-8-12-24(13-9-16)21(26)22-18-6-3-5-17(15-18)19-7-4-14-27-19/h3-7,14-16H,1-2,8-13H2,(H,22,26).
What are the key properties of N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide?
N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 118765639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).