N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C24H24ClN3O2 — CID 72712054

IUPACN-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-20-6-4-18(5-7-20)17-30-23-3-1-2-21(16-23)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29)
InChIKeyYGDGGVQHWDANCW-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.17
Rot. Bonds6

About N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 72712054) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID72712054
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-20-6-4-18(5-7-20)17-30-23-3-1-2-21(16-23)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29)
InChIKeyYGDGGVQHWDANCW-UHFFFAOYSA-N
XLogP5.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 72712054) is N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is YGDGGVQHWDANCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-20-6-4-18(5-7-20)17-30-23-3-1-2-21(16-23)27-24(29)19-10-14-28(15-11-19)22-8-12-26-13-9-22/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,27,29).
What are the key properties of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).