N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide

C28H35N5O2 — CID 29150014

IUPACN-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3ccc4ncccc4c3)CC2)cc1
InChIInChI=1S/C28H35N5O2/c34-28(30-12-15-32-16-18-35-19-17-32)23-4-6-26(7-5-23)33-13-9-25(10-14-33)31-21-22-3-8-27-24(20-22)2-1-11-29-27/h1-8,11,20,25,31H,9-10,12-19,21H2,(H,30,34)
InChIKeySLKFARJYJNQTMO-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.06
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide

N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide (PubChem CID 29150014) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide
PubChem CID29150014
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3ccc4ncccc4c3)CC2)cc1
InChIInChI=1S/C28H35N5O2/c34-28(30-12-15-32-16-18-35-19-17-32)23-4-6-26(7-5-23)33-13-9-25(10-14-33)31-21-22-3-8-27-24(20-22)2-1-11-29-27/h1-8,11,20,25,31H,9-10,12-19,21H2,(H,30,34)
InChIKeySLKFARJYJNQTMO-UHFFFAOYSA-N
XLogP3.06
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-[4-[(5-phenyl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]benzamide
CID 26347607
N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide
CID 26340845
6-[[[1-[4-(dimethylsulfamoylamino)phenyl]piperidin-4-yl]amino]methyl]quinoline
CID 126465142
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
N-(2-morpholin-4-ylethyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916111
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 61042772
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
N-cyclopentyl-4-[4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]piperidin-1-yl]benzamide
CID 26360963
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide (CID 29150014) is N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide is O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCc3ccc4ncccc4c3)CC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide?
The InChIKey is SLKFARJYJNQTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c34-28(30-12-15-32-16-18-35-19-17-32)23-4-6-26(7-5-23)33-13-9-25(10-14-33)31-21-22-3-8-27-24(20-22)2-1-11-29-27/h1-8,11,20,25,31H,9-10,12-19,21H2,(H,30,34).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide?
N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[4-(quinolin-6-ylmethylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 29150014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).