2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide

C22H30N4O — CID 131922151

IUPAC2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CN1CCCC1)NCC1CCN(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C22H30N4O/c27-22(17-25-11-3-4-12-25)24-15-18-8-13-26(14-9-18)16-19-7-10-23-21-6-2-1-5-20(19)21/h1-2,5-7,10,18H,3-4,8-9,11-17H2,(H,24,27)
InChIKeyFLDVASOMPGLXQA-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.66
Rot. Bonds6

About 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide

2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 131922151) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID131922151
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CN1CCCC1)NCC1CCN(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C22H30N4O/c27-22(17-25-11-3-4-12-25)24-15-18-8-13-26(14-9-18)16-19-7-10-23-21-6-2-1-5-20(19)21/h1-2,5-7,10,18H,3-4,8-9,11-17H2,(H,24,27)
InChIKeyFLDVASOMPGLXQA-UHFFFAOYSA-N
XLogP2.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
CID 42521399
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]acetamide
CID 75404078
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 131922151) is 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide is O=C(CN1CCCC1)NCC1CCN(Cc2ccnc3ccccc23)CC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is FLDVASOMPGLXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c27-22(17-25-11-3-4-12-25)24-15-18-8-13-26(14-9-18)16-19-7-10-23-21-6-2-1-5-20(19)21/h1-2,5-7,10,18H,3-4,8-9,11-17H2,(H,24,27).
What are the key properties of 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 131922151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).