1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one

C18H27N3O — CID 95826603

IUPAC1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
SMILESO=C(CCc1cccc(C2CCNCC2)n1)N1CCCCC1
InChIInChI=1S/C18H27N3O/c22-18(21-13-2-1-3-14-21)8-7-16-5-4-6-17(20-16)15-9-11-19-12-10-15/h4-6,15,19H,1-3,7-14H2
InChIKeyQONYKGJCMMGWKG-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.49
Rot. Bonds4

About 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one

1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one (PubChem CID 95826603) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
PubChem CID95826603
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
SMILESO=C(CCc1cccc(C2CCNCC2)n1)N1CCCCC1
InChIInChI=1S/C18H27N3O/c22-18(21-13-2-1-3-14-21)8-7-16-5-4-6-17(20-16)15-9-11-19-12-10-15/h4-6,15,19H,1-3,7-14H2
InChIKeyQONYKGJCMMGWKG-UHFFFAOYSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one;hydrochloride
CID 118741827
3-(6-piperidin-4-yl-2-pyridinyl)-N-(1H-pyrazol-4-yl)propanamide
CID 95827035
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
3-[6-[(3R)-1-(oxane-4-carbonyl)piperidin-3-yl]-2-pyridinyl]propanamide
CID 95820769
3-[6-[1-(oxane-4-carbonyl)piperidin-4-yl]-2-pyridinyl]propanamide
CID 95820768
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
3-(6-amino-5-phenyl-2-pyridinyl)-1-piperidin-1-ylpropan-1-one
CID 59152269
N,N-dimethyl-3-[6-[(3R)-1-methylpiperidin-3-yl]-2-pyridinyl]propanamide
CID 95842659

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one (CID 95826603) is 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one is O=C(CCc1cccc(C2CCNCC2)n1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one?
The InChIKey is QONYKGJCMMGWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(21-13-2-1-3-14-21)8-7-16-5-4-6-17(20-16)15-9-11-19-12-10-15/h4-6,15,19H,1-3,7-14H2.
What are the key properties of 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one?
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 95826603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).