N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C18H20BrN3O — CID 20973203

IUPACN-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20BrN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)
InChIKeyGGMTVRSDCGNVRZ-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.38
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 20973203) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID20973203
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20BrN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)
InChIKeyGGMTVRSDCGNVRZ-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 20973203) is N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NCc1cccc(Br)c1)C1CCCN(c2ccncc2)C1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is GGMTVRSDCGNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23).
What are the key properties of N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 20973203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).