N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C23H28N4O3 — CID 47045194

IUPACN-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C23H28N4O3/c28-22(18-7-6-14-27(16-18)23(29)26-12-3-4-13-26)25-19-9-5-10-21(15-19)30-17-20-8-1-2-11-24-20/h1-2,5,8-11,15,18H,3-4,6-7,12-14,16-17H2,(H,25,28)
InChIKeyGSRSXVPXWCPQCF-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.53
Rot. Bonds5

About N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 47045194) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID47045194
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C23H28N4O3/c28-22(18-7-6-14-27(16-18)23(29)26-12-3-4-13-26)25-19-9-5-10-21(15-19)30-17-20-8-1-2-11-24-20/h1-2,5,8-11,15,18H,3-4,6-7,12-14,16-17H2,(H,25,28)
InChIKeyGSRSXVPXWCPQCF-UHFFFAOYSA-N
XLogP3.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846086
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55709282
tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 25223091
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 38668542
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47043133
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551266
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 42522383
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46461031
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119352027
N-[3-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119846119

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 47045194) is N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(Nc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is GSRSXVPXWCPQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(18-7-6-14-27(16-18)23(29)26-12-3-4-13-26)25-19-9-5-10-21(15-19)30-17-20-8-1-2-11-24-20/h1-2,5,8-11,15,18H,3-4,6-7,12-14,16-17H2,(H,25,28).
What are the key properties of N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 47045194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).