[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone

C20H22N4O — CID 96574025

IUPAC[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESNC[C@@H]1CCCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1
InChIInChI=1S/C20H22N4O/c21-11-15-5-4-10-23(12-15)20(25)17-8-9-19-22-18(14-24(19)13-17)16-6-2-1-3-7-16/h1-3,6-9,13-15H,4-5,10-12,21H2/t15-/m0/s1
InChIKeyXRAYMUQSBFLPFL-HNNXBMFYSA-N
MW334.42 g/mol
LogP2.81
Rot. Bonds3

About [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone

[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 96574025) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID96574025
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
SMILESNC[C@@H]1CCCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1
InChIInChI=1S/C20H22N4O/c21-11-15-5-4-10-23(12-15)20(25)17-8-9-19-22-18(14-24(19)13-17)16-6-2-1-3-7-16/h1-3,6-9,13-15H,4-5,10-12,21H2/t15-/m0/s1
InChIKeyXRAYMUQSBFLPFL-HNNXBMFYSA-N
XLogP2.81
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone with MolForge

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Related Compounds

1-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperidine-4-carbonitrile
CID 70707501
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
(2-phenylimidazo[1,2-a]pyridin-6-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 96578369
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
(2-phenylazetidin-1-yl)-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone
CID 72915799
[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-(3-propoxypiperidin-1-yl)methanone
CID 72859474
6-(2-phenylimidazo[1,2-a]pyridine-6-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70778242
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 121497565
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate
CID 108810625

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone (CID 96574025) is [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone is NC[C@@H]1CCCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)C1.
What is the InChIKey of [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is XRAYMUQSBFLPFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-11-15-5-4-10-23(12-15)20(25)17-8-9-19-22-18(14-24(19)13-17)16-6-2-1-3-7-16/h1-3,6-9,13-15H,4-5,10-12,21H2/t15-/m0/s1.
What are the key properties of [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone?
[(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(aminomethyl)piperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 96574025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).