N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide

C17H33N3O2 — CID 97252247

IUPACN-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide
SMILESCOCCN1[C@@H](C)CN(CCNC(=O)C2CCCC2)C[C@@H]1C
InChIInChI=1S/C17H33N3O2/c1-14-12-19(13-15(2)20(14)10-11-22-3)9-8-18-17(21)16-6-4-5-7-16/h14-16H,4-13H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyDSGDQAOYIUIUHZ-GJZGRUSLSA-N
MW311.47 g/mol
LogP1.33
Rot. Bonds7

About N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide

N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide (PubChem CID 97252247) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide
PubChem CID97252247
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide
SMILESCOCCN1[C@@H](C)CN(CCNC(=O)C2CCCC2)C[C@@H]1C
InChIInChI=1S/C17H33N3O2/c1-14-12-19(13-15(2)20(14)10-11-22-3)9-8-18-17(21)16-6-4-5-7-16/h14-16H,4-13H2,1-3H3,(H,18,21)/t14-,15-/m0/s1
InChIKeyDSGDQAOYIUIUHZ-GJZGRUSLSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
2-Propyl-pentanoic acid (2-morpholin-4-yl-ethyl)-amide
CID 6602917
ethyl 4-[(3R)-3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46873656
N~2~-[(4-methylcyclohexyl)carbonyl]-N-[2-(morpholin-4-yl)ethyl]leucinamide
CID 16478659
2-Amino-4-methyl-1-(morpholin-4-YL)pentan-1-one
CID 21355341
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclopentanecarboxamide
CID 45814746
1-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 71880006
(8aR,11aS)-1-(2-morpholin-4-ylacetyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201560
(2S)-2-amino-4-methyl-1-(morpholin-4-yl)pentan-1-one
CID 15342503
N-[2-(morpholin-4-yl)ethyl]cyclopentanecarboxamide
CID 868845

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide (CID 97252247) is N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide is COCCN1[C@@H](C)CN(CCNC(=O)C2CCCC2)C[C@@H]1C.
What is the InChIKey of N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is DSGDQAOYIUIUHZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-12-19(13-15(2)20(14)10-11-22-3)9-8-18-17(21)16-6-4-5-7-16/h14-16H,4-13H2,1-3H3,(H,18,21)/t14-,15-/m0/s1.
What are the key properties of N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide?
N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 97252247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).