[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

C19H29N3O3 — CID 95716026

IUPAC[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCN(c1ncccc1C(=O)N1CCC[C@@](O)(CO)C1)C1CCCCC1
InChIInChI=1S/C19H29N3O3/c1-21(15-7-3-2-4-8-15)17-16(9-5-11-20-17)18(24)22-12-6-10-19(25,13-22)14-23/h5,9,11,15,23,25H,2-4,6-8,10,12-14H2,1H3/t19-/m0/s1
InChIKeyZJGJVWVJSOEYRN-IBGZPJMESA-N
MW347.46 g/mol
LogP1.81
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 95716026) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID95716026
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCN(c1ncccc1C(=O)N1CCC[C@@](O)(CO)C1)C1CCCCC1
InChIInChI=1S/C19H29N3O3/c1-21(15-7-3-2-4-8-15)17-16(9-5-11-20-17)18(24)22-12-6-10-19(25,13-22)14-23/h5,9,11,15,23,25H,2-4,6-8,10,12-14H2,1H3/t19-/m0/s1
InChIKeyZJGJVWVJSOEYRN-IBGZPJMESA-N
XLogP1.81
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid
CID 56871850
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
[2-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133398555
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(3-pyrimidin-2-ylphenyl)methanone
CID 125155658
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
1-[cyclopentyl(methyl)amino]isoquinoline-4-carboxylic acid
CID 106766543
(E)-3-[2-[cyclohexyl(methyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 114056964
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 95716026) is [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is CN(c1ncccc1C(=O)N1CCC[C@@](O)(CO)C1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ZJGJVWVJSOEYRN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(15-7-3-2-4-8-15)17-16(9-5-11-20-17)18(24)22-12-6-10-19(25,13-22)14-23/h5,9,11,15,23,25H,2-4,6-8,10,12-14H2,1H3/t19-/m0/s1.
What are the key properties of [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95716026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).