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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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).