1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide

C23H30N4O — CID 136573921

IUPAC1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNC3CC(c4ccncc4)C3)c2)C1
InChIInChI=1S/C23H30N4O/c24-23(28)20-5-2-10-27(16-20)15-18-4-1-3-17(11-18)14-26-22-12-21(13-22)19-6-8-25-9-7-19/h1,3-4,6-9,11,20-22,26H,2,5,10,12-16H2,(H2,24,28)
InChIKeyHOLYRYXGYPQFQN-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.81
Rot. Bonds7

About 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 136573921) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID136573921
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNC3CC(c4ccncc4)C3)c2)C1
InChIInChI=1S/C23H30N4O/c24-23(28)20-5-2-10-27(16-20)15-18-4-1-3-17(11-18)14-26-22-12-21(13-22)19-6-8-25-9-7-19/h1,3-4,6-9,11,20-22,26H,2,5,10,12-16H2,(H2,24,28)
InChIKeyHOLYRYXGYPQFQN-UHFFFAOYSA-N
XLogP2.81
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
(3R)-1-[[3-[[(4-cyano-3-pyridinyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 97160993
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119126186
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008
1-[[3-[[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111109672
1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 136573921) is 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cccc(CNC3CC(c4ccncc4)C3)c2)C1.
What is the InChIKey of 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is HOLYRYXGYPQFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c24-23(28)20-5-2-10-27(16-20)15-18-4-1-3-17(11-18)14-26-22-12-21(13-22)19-6-8-25-9-7-19/h1,3-4,6-9,11,20-22,26H,2,5,10,12-16H2,(H2,24,28).
What are the key properties of 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136573921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).