[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H33N3O2 — CID 111515872

IUPAC[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC(CC)(CCO)CNc1ccc(C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C20H33N3O2/c1-4-20(5-2,10-13-24)15-22-18-7-6-17(14-21-18)19(25)23-11-8-16(3)9-12-23/h6-7,14,16,24H,4-5,8-13,15H2,1-3H3,(H,21,22)
InChIKeyVWUQDUYJDTWPNJ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.55
Rot. Bonds8

About [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 111515872) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID111515872
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC(CC)(CCO)CNc1ccc(C(=O)N2CCC(C)CC2)cn1
InChIInChI=1S/C20H33N3O2/c1-4-20(5-2,10-13-24)15-22-18-7-6-17(14-21-18)19(25)23-11-8-16(3)9-12-23/h6-7,14,16,24H,4-5,8-13,15H2,1-3H3,(H,21,22)
InChIKeyVWUQDUYJDTWPNJ-UHFFFAOYSA-N
XLogP3.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133323844
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366494
[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
CID 122050434
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
(4-methylpiperidin-1-yl)-[6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)-3-pyridinyl]methanone
CID 133440136
[6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133351592

Frequently Asked Questions

What is the IUPAC name of [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 111515872) is [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CCC(CC)(CCO)CNc1ccc(C(=O)N2CCC(C)CC2)cn1.
What is the InChIKey of [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VWUQDUYJDTWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-20(5-2,10-13-24)15-22-18-7-6-17(14-21-18)19(25)23-11-8-16(3)9-12-23/h6-7,14,16,24H,4-5,8-13,15H2,1-3H3,(H,21,22).
What are the key properties of [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 347.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 111515872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).