2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C16H31ClN4O2 — CID 119391186

IUPAC2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCC(=O)NC(C(=O)NCCCN1CCNCC1)C1CCCC1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-13(21)19-15(14-5-2-3-6-14)16(22)18-7-4-10-20-11-8-17-9-12-20;/h14-15,17H,2-12H2,1H3,(H,18,22)(H,19,21);1H
InChIKeyFSMUHXOEQDBLAK-UHFFFAOYSA-N
MW346.90 g/mol
LogP0.51
Rot. Bonds7

About 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119391186) has the molecular formula C16H31ClN4O2 and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119391186
Molecular FormulaC16H31ClN4O2
Molecular Weight346.90 g/mol
Exact Mass346.21
IUPAC Name2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCC(=O)NC(C(=O)NCCCN1CCNCC1)C1CCCC1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-13(21)19-15(14-5-2-3-6-14)16(22)18-7-4-10-20-11-8-17-9-12-20;/h14-15,17H,2-12H2,1H3,(H,18,22)(H,19,21);1H
InChIKeyFSMUHXOEQDBLAK-UHFFFAOYSA-N
XLogP0.51
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
CID 119619470
2-acetamido-2-cyclopentyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119386391
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
2-acetamido-2-cyclopentyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119555580
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
CID 119392993
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119391186) is 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is CC(=O)NC(C(=O)NCCCN1CCNCC1)C1CCCC1.Cl.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is FSMUHXOEQDBLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.ClH/c1-13(21)19-15(14-5-2-3-6-14)16(22)18-7-4-10-20-11-8-17-9-12-20;/h14-15,17H,2-12H2,1H3,(H,18,22)(H,19,21);1H.
What are the key properties of 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119391186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).