1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone

C16H25N3O3 — CID 155919333

IUPAC1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone
SMILESCCC[C@]1(CO)CCN(C(=O)CNc2cccnc2)C[C@@H]1O
InChIInChI=1S/C16H25N3O3/c1-2-5-16(12-20)6-8-19(11-14(16)21)15(22)10-18-13-4-3-7-17-9-13/h3-4,7,9,14,18,20-21H,2,5-6,8,10-12H2,1H3/t14-,16+/m0/s1
InChIKeyNIFUJNJXSKGHIZ-GOEBONIOSA-N
MW307.39 g/mol
LogP0.87
Rot. Bonds6

About 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone

1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone (PubChem CID 155919333) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone
PubChem CID155919333
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone
SMILESCCC[C@]1(CO)CCN(C(=O)CNc2cccnc2)C[C@@H]1O
InChIInChI=1S/C16H25N3O3/c1-2-5-16(12-20)6-8-19(11-14(16)21)15(22)10-18-13-4-3-7-17-9-13/h3-4,7,9,14,18,20-21H,2,5-6,8,10-12H2,1H3/t14-,16+/m0/s1
InChIKeyNIFUJNJXSKGHIZ-GOEBONIOSA-N
XLogP0.87
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone with MolForge

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Related Compounds

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 155915724
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 155498461
2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175641180
5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 155912436
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(pyridin-3-ylamino)ethanone
CID 155492000
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103258227
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
(3R,4S)-3-hydroxy-1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306068

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone (CID 155919333) is 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone is CCC[C@]1(CO)CCN(C(=O)CNc2cccnc2)C[C@@H]1O.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone?
The InChIKey is NIFUJNJXSKGHIZ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-5-16(12-20)6-8-19(11-14(16)21)15(22)10-18-13-4-3-7-17-9-13/h3-4,7,9,14,18,20-21H,2,5-6,8,10-12H2,1H3/t14-,16+/m0/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone?
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone has a molecular weight of 307.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-2-(pyridin-3-ylamino)ethanone is sourced from PubChem (CID 155919333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).