N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide

C17H23N3O2 — CID 95213607

IUPACN-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1
InChIInChI=1S/C17H23N3O2/c1-22-13-17(21)19-10-14-5-4-8-20(11-14)12-16-7-3-2-6-15(16)9-18/h2-3,6-7,14H,4-5,8,10-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyITEYYFXLSMZRGP-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.53
Rot. Bonds6

About N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide

N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide (PubChem CID 95213607) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide
PubChem CID95213607
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1
InChIInChI=1S/C17H23N3O2/c1-22-13-17(21)19-10-14-5-4-8-20(11-14)12-16-7-3-2-6-15(16)9-18/h2-3,6-7,14H,4-5,8,10-13H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyITEYYFXLSMZRGP-AWEZNQCLSA-N
XLogP1.53
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 95214341
1-[[(3R)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 95228427
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278
3-[[3-(ethylaminomethyl)piperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107119960
N-[[(3S)-1-[(2-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95202610
methyl 1-[(3-cyano-2-fluorophenyl)methyl]piperidine-3-carboxylate
CID 103912126
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
N-[[(3S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42525815
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42362575

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide (CID 95213607) is N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1.
What is the InChIKey of N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
The InChIKey is ITEYYFXLSMZRGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-22-13-17(21)19-10-14-5-4-8-20(11-14)12-16-7-3-2-6-15(16)9-18/h2-3,6-7,14H,4-5,8,10-13H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide?
N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide has a molecular weight of 301.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2-cyanophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 95213607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).