N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

C17H30N4O2 — CID 95611845

IUPACN-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(C)C[C@@H]1CN(CC(=O)NC2(C#N)CCCCCC2)CCO1
InChIInChI=1S/C17H30N4O2/c1-20(2)11-15-12-21(9-10-23-15)13-16(22)19-17(14-18)7-5-3-4-6-8-17/h15H,3-13H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyAYWSIBHNLVLHNS-OAHLLOKOSA-N
MW322.45 g/mol
LogP0.98
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide

N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 95611845) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
PubChem CID95611845
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
SMILESCN(C)C[C@@H]1CN(CC(=O)NC2(C#N)CCCCCC2)CCO1
InChIInChI=1S/C17H30N4O2/c1-20(2)11-15-12-21(9-10-23-15)13-16(22)19-17(14-18)7-5-3-4-6-8-17/h15H,3-13H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyAYWSIBHNLVLHNS-OAHLLOKOSA-N
XLogP0.98
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2472458
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CID 104975491
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95345333
N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95156776
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 48736687
N-(1-cyanocyclopentyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899292
2-(4-amino-3-methylpiperidin-1-yl)-N-(1-cyanocyclohexyl)acetamide
CID 79867740
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
N-(1-cyanocyclopentyl)-2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 86774972

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide (CID 95611845) is N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is CN(C)C[C@@H]1CN(CC(=O)NC2(C#N)CCCCCC2)CCO1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is AYWSIBHNLVLHNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-20(2)11-15-12-21(9-10-23-15)13-16(22)19-17(14-18)7-5-3-4-6-8-17/h15H,3-13H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide?
N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 95611845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).