[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

C18H29N3O2 — CID 133352672

IUPAC[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCC(C)C(C)(O)CNc1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-4-14(2)18(3,23)13-20-16-15(9-8-10-19-16)17(22)21-11-6-5-7-12-21/h8-10,14,23H,4-7,11-13H2,1-3H3,(H,19,20)
InChIKeyPDDDLVPGSRXFQN-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.92
Rot. Bonds6

About [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133352672) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133352672
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCC(C)C(C)(O)CNc1ncccc1C(=O)N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-4-14(2)18(3,23)13-20-16-15(9-8-10-19-16)17(22)21-11-6-5-7-12-21/h8-10,14,23H,4-7,11-13H2,1-3H3,(H,19,20)
InChIKeyPDDDLVPGSRXFQN-UHFFFAOYSA-N
XLogP2.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133328244
[2-[(4-methoxyoxan-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133400100
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1441003
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182
[2-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133357871
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133317596

Frequently Asked Questions

What is the IUPAC name of [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133352672) is [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is CCC(C)C(C)(O)CNc1ncccc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is PDDDLVPGSRXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-14(2)18(3,23)13-20-16-15(9-8-10-19-16)17(22)21-11-6-5-7-12-21/h8-10,14,23H,4-7,11-13H2,1-3H3,(H,19,20).
What are the key properties of [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 319.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133352672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).