[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone

C22H30N4O — CID 48679733

IUPAC[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cn1
InChIInChI=1S/C22H30N4O/c1-4-25(5-2)21-12-11-18(17-23-21)22(27)26-15-13-20(14-16-26)24(3)19-9-7-6-8-10-19/h6-12,17,20H,4-5,13-16H2,1-3H3
InChIKeyUAFOHJZPVOOZGN-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.67
Rot. Bonds6

About [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone

[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone (PubChem CID 48679733) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
PubChem CID48679733
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cn1
InChIInChI=1S/C22H30N4O/c1-4-25(5-2)21-12-11-18(17-23-21)22(27)26-15-13-20(14-16-26)24(3)19-9-7-6-8-10-19/h6-12,17,20H,4-5,13-16H2,1-3H3
InChIKeyUAFOHJZPVOOZGN-UHFFFAOYSA-N
XLogP3.67
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 48661370
[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 48658257
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119625279
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391
[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 48680586
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291325
[6-[[(2S)-1-hydroxypropan-2-yl]-methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 126817379
5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119134248
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
The IUPAC name of [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone (CID 48679733) is [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
The canonical SMILES for [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone is CCN(CC)c1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cn1.
What is the InChIKey of [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
The InChIKey is UAFOHJZPVOOZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-25(5-2)21-12-11-18(17-23-21)22(27)26-15-13-20(14-16-26)24(3)19-9-7-6-8-10-19/h6-12,17,20H,4-5,13-16H2,1-3H3.
What are the key properties of [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone?
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 48679733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).