N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide

C20H27N3O2 — CID 95210015

IUPACN-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCN(Cc2cc3ccccc3n(C)c2=O)C1
InChIInChI=1S/C20H27N3O2/c1-15(24)21-10-9-16-6-5-11-23(13-16)14-18-12-17-7-3-4-8-19(17)22(2)20(18)25/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyJYIZJAIGGADJTA-MRXNPFEDSA-N
MW341.45 g/mol
LogP2.28
Rot. Bonds5

About N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide

N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide (PubChem CID 95210015) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
PubChem CID95210015
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCC[C@H]1CCCN(Cc2cc3ccccc3n(C)c2=O)C1
InChIInChI=1S/C20H27N3O2/c1-15(24)21-10-9-16-6-5-11-23(13-16)14-18-12-17-7-3-4-8-19(17)22(2)20(18)25/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyJYIZJAIGGADJTA-MRXNPFEDSA-N
XLogP2.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
CID 154780356
N-[2-[(3R)-1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide
CID 95230082
N-[[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 95199453
3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
CID 164688908
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166420208
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
1-methyl-3-[(2-prop-2-ynylmorpholin-4-yl)methyl]quinolin-2-one
CID 155961607
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide (CID 95210015) is N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide is CC(=O)NCC[C@H]1CCCN(Cc2cc3ccccc3n(C)c2=O)C1.
What is the InChIKey of N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide?
The InChIKey is JYIZJAIGGADJTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(24)21-10-9-16-6-5-11-23(13-16)14-18-12-17-7-3-4-8-19(17)22(2)20(18)25/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide?
N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 95210015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).