2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C25H34N4O2 — CID 68710822

IUPAC2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESNC(Cc1ccc(OCc2ccccc2)nc1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H34N4O2/c26-23(25(30)29-15-11-22(12-16-29)28-13-5-2-6-14-28)17-21-9-10-24(27-18-21)31-19-20-7-3-1-4-8-20/h1,3-4,7-10,18,22-23H,2,5-6,11-17,19,26H2
InChIKeyXHUAOJIWJJNWAC-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.01
Rot. Bonds7

About 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 68710822) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID68710822
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESNC(Cc1ccc(OCc2ccccc2)nc1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C25H34N4O2/c26-23(25(30)29-15-11-22(12-16-29)28-13-5-2-6-14-28)17-21-9-10-24(27-18-21)31-19-20-7-3-1-4-8-20/h1,3-4,7-10,18,22-23H,2,5-6,11-17,19,26H2
InChIKeyXHUAOJIWJJNWAC-UHFFFAOYSA-N
XLogP3.01
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]pentanamide
CID 70060885
(2S)-2-amino-3-(4-amino-3,5-dibromophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 57270181
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 104905127
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 68710822) is 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is NC(Cc1ccc(OCc2ccccc2)nc1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is XHUAOJIWJJNWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c26-23(25(30)29-15-11-22(12-16-29)28-13-5-2-6-14-28)17-21-9-10-24(27-18-21)31-19-20-7-3-1-4-8-20/h1,3-4,7-10,18,22-23H,2,5-6,11-17,19,26H2.
What are the key properties of 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 422.57 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-phenylmethoxy-3-pyridinyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 68710822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).