2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone

C25H33N5O3 — CID 55448995

IUPAC2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1)N1CCCCC1
InChIInChI=1S/C25H33N5O3/c31-24(29-8-4-1-5-9-29)19-27-10-12-28(13-11-27)23-18-21(20-6-2-3-7-22(20)26-23)25(32)30-14-16-33-17-15-30/h2-3,6-7,18H,1,4-5,8-17,19H2
InChIKeyJHLBNUVDWQPWML-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 55448995) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID55448995
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1)N1CCCCC1
InChIInChI=1S/C25H33N5O3/c31-24(29-8-4-1-5-9-29)19-27-10-12-28(13-11-27)23-18-21(20-6-2-3-7-22(20)26-23)25(32)30-14-16-33-17-15-30/h2-3,6-7,18H,1,4-5,8-17,19H2
InChIKeyJHLBNUVDWQPWML-UHFFFAOYSA-N
XLogP1.84
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

4-[[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55470649
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
[4-(3-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-ylquinolin-4-yl)methanone
CID 6616505
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155800366
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30756630
6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784138
morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
CID 55638328
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone
CID 55447395
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 55448995) is 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JHLBNUVDWQPWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c31-24(29-8-4-1-5-9-29)19-27-10-12-28(13-11-27)23-18-21(20-6-2-3-7-22(20)26-23)25(32)30-14-16-33-17-15-30/h2-3,6-7,18H,1,4-5,8-17,19H2.
What are the key properties of 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 451.57 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 55448995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).