4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one

C19H29N3O2 — CID 91830644

IUPAC4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
SMILESCC(CCC(=O)N1CCC(c2ccncc2)CC1)N1CCOCC1
InChIInChI=1S/C19H29N3O2/c1-16(21-12-14-24-15-13-21)2-3-19(23)22-10-6-18(7-11-22)17-4-8-20-9-5-17/h4-5,8-9,16,18H,2-3,6-7,10-15H2,1H3
InChIKeyPTVYLKNWWHFSQQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.29
Rot. Bonds5

About 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one

4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one (PubChem CID 91830644) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
PubChem CID91830644
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
SMILESCC(CCC(=O)N1CCC(c2ccncc2)CC1)N1CCOCC1
InChIInChI=1S/C19H29N3O2/c1-16(21-12-14-24-15-13-21)2-3-19(23)22-10-6-18(7-11-22)17-4-8-20-9-5-17/h4-5,8-9,16,18H,2-3,6-7,10-15H2,1H3
InChIKeyPTVYLKNWWHFSQQ-UHFFFAOYSA-N
XLogP2.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-morpholin-4-ylpentan-1-one
CID 91839686
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
CID 46979836
1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one
CID 137344927
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 124750043
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 135113601
3-benzylsulfanyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 91839545
3-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 125168925
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
butan-2-yl 3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxylate
CID 146372932
4-phenylmethoxy-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 91772094

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one (CID 91830644) is 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one is CC(CCC(=O)N1CCC(c2ccncc2)CC1)N1CCOCC1.
What is the InChIKey of 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?
The InChIKey is PTVYLKNWWHFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16(21-12-14-24-15-13-21)2-3-19(23)22-10-6-18(7-11-22)17-4-8-20-9-5-17/h4-5,8-9,16,18H,2-3,6-7,10-15H2,1H3.
What are the key properties of 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one?
4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one has a molecular weight of 331.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 91830644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).