1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one

C22H29N3O — CID 42521399

IUPAC1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(Cc2cccc3ncccc23)CC1)N1CCCC1
InChIInChI=1S/C22H29N3O/c26-22(25-13-1-2-14-25)9-8-18-10-15-24(16-11-18)17-19-5-3-7-21-20(19)6-4-12-23-21/h3-7,12,18H,1-2,8-11,13-17H2
InChIKeyHNTOATPKIMWCKP-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.85
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one

1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one (PubChem CID 42521399) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
PubChem CID42521399
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(Cc2cccc3ncccc23)CC1)N1CCCC1
InChIInChI=1S/C22H29N3O/c26-22(25-13-1-2-14-25)9-8-18-10-15-24(16-11-18)17-19-5-3-7-21-20(19)6-4-12-23-21/h3-7,12,18H,1-2,8-11,13-17H2
InChIKeyHNTOATPKIMWCKP-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42533137
1-pyrrolidin-1-yl-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propan-1-one
CID 42531267
3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 26329389
N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56739434
4-(quinolin-5-ylmethyl)-1,4-oxazepane
CID 29183639
2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 131922151
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[(3S)-1-(quinoxalin-5-ylmethyl)piperidin-3-yl]propan-1-one
CID 42567239
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 796434
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25283958
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one (CID 42521399) is 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(Cc2cccc3ncccc23)CC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one?
The InChIKey is HNTOATPKIMWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c26-22(25-13-1-2-14-25)9-8-18-10-15-24(16-11-18)17-19-5-3-7-21-20(19)6-4-12-23-21/h3-7,12,18H,1-2,8-11,13-17H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one?
1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one has a molecular weight of 351.49 g/mol, XLogP of 3.85, 5 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-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 42521399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).