1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one

C22H27N3O2 — CID 42531267

IUPAC1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(C(=O)c2ccc3ncccc3c2)CC1)N1CCCC1
InChIInChI=1S/C22H27N3O2/c26-21(24-12-1-2-13-24)8-5-17-9-14-25(15-10-17)22(27)19-6-7-20-18(16-19)4-3-11-23-20/h3-4,6-7,11,16-17H,1-2,5,8-10,12-15H2
InChIKeyNTBOHTFCEHGUGI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.49
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one

1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one (PubChem CID 42531267) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
PubChem CID42531267
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(C(=O)c2ccc3ncccc3c2)CC1)N1CCCC1
InChIInChI=1S/C22H27N3O2/c26-21(24-12-1-2-13-24)8-5-17-9-14-25(15-10-17)22(27)19-6-7-20-18(16-19)4-3-11-23-20/h3-4,6-7,11,16-17H,1-2,5,8-10,12-15H2
InChIKeyNTBOHTFCEHGUGI-UHFFFAOYSA-N
XLogP3.49
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
3-[1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one
CID 158342672
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
CID 42521399
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942069
6-(difluoromethyl)-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943865
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
CID 70774943

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one (CID 42531267) is 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(C(=O)c2ccc3ncccc3c2)CC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one?
The InChIKey is NTBOHTFCEHGUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(24-12-1-2-13-24)8-5-17-9-14-25(15-10-17)22(27)19-6-7-20-18(16-19)4-3-11-23-20/h3-4,6-7,11,16-17H,1-2,5,8-10,12-15H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one?
1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one has a molecular weight of 365.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 42531267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).