N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

C15H26N4O — CID 104975491

IUPACN-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC2(C#N)CCCCCC2)CCN1
InChIInChI=1S/C15H26N4O/c1-13-10-19(9-8-17-13)11-14(20)18-15(12-16)6-4-2-3-5-7-15/h13,17H,2-11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyAZSLKFHHBGMEAD-CYBMUJFWSA-N
MW278.40 g/mol
LogP1.01
Rot. Bonds3

About N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide

N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104975491) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
PubChem CID104975491
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)NC2(C#N)CCCCCC2)CCN1
InChIInChI=1S/C15H26N4O/c1-13-10-19(9-8-17-13)11-14(20)18-15(12-16)6-4-2-3-5-7-15/h13,17H,2-11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyAZSLKFHHBGMEAD-CYBMUJFWSA-N
XLogP1.01
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
N-(1-cyanocyclopentyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899292
N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(1-cyanocyclohexyl)acetamide
CID 60917389
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide (CID 104975491) is N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is C[C@@H]1CN(CC(=O)NC2(C#N)CCCCCC2)CCN1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is AZSLKFHHBGMEAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13-10-19(9-8-17-13)11-14(20)18-15(12-16)6-4-2-3-5-7-15/h13,17H,2-11H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide?
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104975491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).