[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone

C21H34N4O2 — CID 123582810

IUPAC[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCCC(CO)Nc1ccc(C(=O)N2CCC(N3CCCC(C)C3)CC2)cn1
InChIInChI=1S/C21H34N4O2/c1-3-18(15-26)23-20-7-6-17(13-22-20)21(27)24-11-8-19(9-12-24)25-10-4-5-16(2)14-25/h6-7,13,16,18-19,26H,3-5,8-12,14-15H2,1-2H3,(H,22,23)
InChIKeyAANPPHBCLOSKSY-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.60
Rot. Bonds6

About [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone

[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 123582810) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID123582810
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone
SMILESCCC(CO)Nc1ccc(C(=O)N2CCC(N3CCCC(C)C3)CC2)cn1
InChIInChI=1S/C21H34N4O2/c1-3-18(15-26)23-20-7-6-17(13-22-20)21(27)24-11-8-19(9-12-24)25-10-4-5-16(2)14-25/h6-7,13,16,18-19,26H,3-5,8-12,14-15H2,1-2H3,(H,22,23)
InChIKeyAANPPHBCLOSKSY-UHFFFAOYSA-N
XLogP2.60
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-(1-methoxybutan-2-ylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742699
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 123921823
[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 118190444
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-(6-hydroxyhexan-3-ylamino)-3-pyridinyl]-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]methanone
CID 166329683
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
CID 122050434
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 90483458
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
1-[[1-[6-[[(2S)-1-methoxybutan-2-yl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 95205069
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295

Frequently Asked Questions

What is the IUPAC name of [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone (CID 123582810) is [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone is CCC(CO)Nc1ccc(C(=O)N2CCC(N3CCCC(C)C3)CC2)cn1.
What is the InChIKey of [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is AANPPHBCLOSKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-18(15-26)23-20-7-6-17(13-22-20)21(27)24-11-8-19(9-12-24)25-10-4-5-16(2)14-25/h6-7,13,16,18-19,26H,3-5,8-12,14-15H2,1-2H3,(H,22,23).
What are the key properties of [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone?
[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 374.53 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 123582810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).