N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride

C17H33ClN4O2 — CID 119394023

IUPACN-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
SMILESCC(CC(=O)NCCCN1CCNCC1)NC(=O)C1CCCC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-14(20-17(23)15-5-2-3-6-15)13-16(22)19-7-4-10-21-11-8-18-9-12-21;/h14-15,18H,2-13H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyMRCCFFSWSAURCS-UHFFFAOYSA-N
MW360.93 g/mol
LogP0.90
Rot. Bonds8

About N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride

N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride (PubChem CID 119394023) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
PubChem CID119394023
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC NameN-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
SMILESCC(CC(=O)NCCCN1CCNCC1)NC(=O)C1CCCC1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-14(20-17(23)15-5-2-3-6-15)13-16(22)19-7-4-10-21-11-8-18-9-12-21;/h14-15,18H,2-13H2,1H3,(H,19,22)(H,20,23);1H
InChIKeyMRCCFFSWSAURCS-UHFFFAOYSA-N
XLogP0.90
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 50.90
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

3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119534348
2-acetamido-2-cyclopentyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391186
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
N-[4-(1,4-diazepan-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119415054
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride?
The IUPAC name of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride (CID 119394023) is N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride is CC(CC(=O)NCCCN1CCNCC1)NC(=O)C1CCCC1.Cl.
What is the InChIKey of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride?
The InChIKey is MRCCFFSWSAURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c1-14(20-17(23)15-5-2-3-6-15)13-16(22)19-7-4-10-21-11-8-18-9-12-21;/h14-15,18H,2-13H2,1H3,(H,19,22)(H,20,23);1H.
What are the key properties of N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride?
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride is sourced from PubChem (CID 119394023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).