1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide

C21H27N3O2 — CID 51120625

IUPAC1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNCc2ccc(N3CCCC(C(N)=O)C3)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-26-20-6-2-4-17(12-20)14-23-13-16-7-9-19(10-8-16)24-11-3-5-18(15-24)21(22)25/h2,4,6-10,12,18,23H,3,5,11,13-15H2,1H3,(H2,22,25)
InChIKeyBHJZWRUJPMCPCR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.69
Rot. Bonds7

About 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide

1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide (PubChem CID 51120625) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
PubChem CID51120625
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
SMILESCOc1cccc(CNCc2ccc(N3CCCC(C(N)=O)C3)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-26-20-6-2-4-17(12-20)14-23-13-16-7-9-19(10-8-16)24-11-3-5-18(15-24)21(22)25/h2,4,6-10,12,18,23H,3,5,11,13-15H2,1H3,(H2,22,25)
InChIKeyBHJZWRUJPMCPCR-UHFFFAOYSA-N
XLogP2.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide
CID 94531394
1-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 51124631
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
(3R)-1-[4-(methanesulfonamidomethyl)phenyl]piperidine-3-carboxamide
CID 94640128
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
N-[(3-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839369
1-[3-[[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111249662
1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
CID 80726633
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[4-[(furan-2-carbonylamino)methyl]phenyl]piperidine-3-carboxamide
CID 56797802
(3R)-1-[4-[[(5-methylfuran-2-carbonyl)amino]methyl]phenyl]piperidine-3-carboxamide
CID 94632476
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide (CID 51120625) is 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide is COc1cccc(CNCc2ccc(N3CCCC(C(N)=O)C3)cc2)c1.
What is the InChIKey of 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is BHJZWRUJPMCPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-6-2-4-17(12-20)14-23-13-16-7-9-19(10-8-16)24-11-3-5-18(15-24)21(22)25/h2,4,6-10,12,18,23H,3,5,11,13-15H2,1H3,(H2,22,25).
What are the key properties of 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide?
1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3-methoxyphenyl)methylamino]methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 51120625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).