[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone

C16H25N3O2 — CID 107228678

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCC(CCO)C2)cn1
InChIInChI=1S/C16H25N3O2/c1-2-8-17-15-6-5-14(11-18-15)16(21)19-9-3-4-13(12-19)7-10-20/h5-6,11,13,20H,2-4,7-10,12H2,1H3,(H,17,18)
InChIKeyUNKHATAVSPBMFG-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.14
Rot. Bonds6

About [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone (PubChem CID 107228678) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
PubChem CID107228678
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCC(CCO)C2)cn1
InChIInChI=1S/C16H25N3O2/c1-2-8-17-15-6-5-14(11-18-15)16(21)19-9-3-4-13(12-19)7-10-20/h5-6,11,13,20H,2-4,7-10,12H2,1H3,(H,17,18)
InChIKeyUNKHATAVSPBMFG-UHFFFAOYSA-N
XLogP2.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56748072
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 102936156
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
N-methyl-N-(1-methylpiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62540530

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone (CID 107228678) is [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone is CCCNc1ccc(C(=O)N2CCCC(CCO)C2)cn1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The InChIKey is UNKHATAVSPBMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-8-17-15-6-5-14(11-18-15)16(21)19-9-3-4-13(12-19)7-10-20/h5-6,11,13,20H,2-4,7-10,12H2,1H3,(H,17,18).
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone has a molecular weight of 291.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 107228678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).