2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide

C21H28N4O2 — CID 77095583

IUPAC2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1Cc1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C21H28N4O2/c22-20(26)14-18-6-3-4-8-25(18)15-17-13-16-5-1-2-7-19(16)23-21(17)24-9-11-27-12-10-24/h1-2,5,7,13,18H,3-4,6,8-12,14-15H2,(H2,22,26)
InChIKeyNXTISCSPYMOACI-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.30
Rot. Bonds5

About 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide

2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide (PubChem CID 77095583) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide
PubChem CID77095583
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1Cc1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C21H28N4O2/c22-20(26)14-18-6-3-4-8-25(18)15-17-13-16-5-1-2-7-19(16)23-21(17)24-9-11-27-12-10-24/h1-2,5,7,13,18H,3-4,6,8-12,14-15H2,(H2,22,26)
InChIKeyNXTISCSPYMOACI-UHFFFAOYSA-N
XLogP2.30
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperidin-2-yl]acetamide
CID 52506806
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62207536
1-[(3R,4R)-4-hydroxy-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698083
2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
CID 97157820
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
[1-[(2-hydrazinylquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62246844
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 42700833
[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
CID 116634094
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
4-[3-(aminomethyl)quinolin-2-yl]morpholine-3-carboxamide
CID 83096750

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide (CID 77095583) is 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide is NC(=O)CC1CCCCN1Cc1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide?
The InChIKey is NXTISCSPYMOACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c22-20(26)14-18-6-3-4-8-25(18)15-17-13-16-5-1-2-7-19(16)23-21(17)24-9-11-27-12-10-24/h1-2,5,7,13,18H,3-4,6,8-12,14-15H2,(H2,22,26).
What are the key properties of 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide?
2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 77095583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).