2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide

C18H21N5O — CID 121411666

IUPAC2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide
SMILESC[C@H]1C[C@@H](NCC(N)=O)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C18H21N5O/c1-12-7-14(22-9-17(20)24)11-23(10-12)16-5-4-13(8-19)18-15(16)3-2-6-21-18/h2-6,12,14,22H,7,9-11H2,1H3,(H2,20,24)/t12-,14+/m0/s1
InChIKeyHMMMOIOPDPFULC-GXTWGEPZSA-N
MW323.40 g/mol
LogP1.40
Rot. Bonds4

About 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide

2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide (PubChem CID 121411666) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide
PubChem CID121411666
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide
SMILESC[C@H]1C[C@@H](NCC(N)=O)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C18H21N5O/c1-12-7-14(22-9-17(20)24)11-23(10-12)16-5-4-13(8-19)18-15(16)3-2-6-21-18/h2-6,12,14,22H,7,9-11H2,1H3,(H2,20,24)/t12-,14+/m0/s1
InChIKeyHMMMOIOPDPFULC-GXTWGEPZSA-N
XLogP1.40
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S,5R)-3-methyl-5-(methylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 121411610
5-[(3R,5S)-3-(2-methoxyethylamino)-5-methylpiperidin-1-yl]quinoline-8-carbonitrile
CID 121411625
3-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]butanamide
CID 121411574
(2S)-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxy-3-methylbutanamide
CID 121411608
(2S)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 121411655
(2R)-2-amino-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-3-phenylpropanamide
CID 121411692
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118026003
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
CID 121411624
5-[(5R)-3-methyl-5-(1-pyridin-2-ylethylamino)piperidin-1-yl]quinoline-8-carbonitrile
CID 118026028
3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide
CID 156755881
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
5-[(3S,5S)-3-methyl-5-[(3R)-3-(4-methylpiperazin-1-yl)-2-oxobutyl]piperidin-1-yl]quinoline-8-carbonitrile
CID 158441484

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide?
The IUPAC name of 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide (CID 121411666) is 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide.
What is the SMILES notation for 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide?
The canonical SMILES for 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide is C[C@H]1C[C@@H](NCC(N)=O)CN(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide?
The InChIKey is HMMMOIOPDPFULC-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-7-14(22-9-17(20)24)11-23(10-12)16-5-4-13(8-19)18-15(16)3-2-6-21-18/h2-6,12,14,22H,7,9-11H2,1H3,(H2,20,24)/t12-,14+/m0/s1.
What are the key properties of 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide?
2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide has a molecular weight of 323.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]amino]acetamide is sourced from PubChem (CID 121411666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).