1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

C18H25N5O — CID 119126186

IUPAC1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNCc3ncc[nH]3)c2)C1
InChIInChI=1S/C18H25N5O/c19-18(24)16-5-2-8-23(13-16)12-15-4-1-3-14(9-15)10-20-11-17-21-6-7-22-17/h1,3-4,6-7,9,16,20H,2,5,8,10-13H2,(H2,19,24)(H,21,22)
InChIKeyZZSXAEVJPICTKC-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.40
Rot. Bonds7

About 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide

1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119126186) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID119126186
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cccc(CNCc3ncc[nH]3)c2)C1
InChIInChI=1S/C18H25N5O/c19-18(24)16-5-2-8-23(13-16)12-15-4-1-3-14(9-15)10-20-11-17-21-6-7-22-17/h1,3-4,6-7,9,16,20H,2,5,8,10-13H2,(H2,19,24)(H,21,22)
InChIKeyZZSXAEVJPICTKC-UHFFFAOYSA-N
XLogP1.40
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
(3S)-1-[[3-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124684329
N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 154865979
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
1-[[3-[[(3-pyridin-4-ylcyclobutyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136573921
1-[[3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125805

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide (CID 119126186) is 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cccc(CNCc3ncc[nH]3)c2)C1.
What is the InChIKey of 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ZZSXAEVJPICTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-18(24)16-5-2-8-23(13-16)12-15-4-1-3-14(9-15)10-20-11-17-21-6-7-22-17/h1,3-4,6-7,9,16,20H,2,5,8,10-13H2,(H2,19,24)(H,21,22).
What are the key properties of 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide?
1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119126186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).