2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

C16H32ClN3O2 — CID 119447644

IUPAC2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-2-15(21-14-6-4-3-5-7-14)16(20)18-10-13-19-11-8-17-9-12-19;/h14-15,17H,2-13H2,1H3,(H,18,20);1H
InChIKeyDMUVHINIZMXOSD-UHFFFAOYSA-N
MW333.90 g/mol
LogP1.56
Rot. Bonds7

About 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (PubChem CID 119447644) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
PubChem CID119447644
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC Name2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C16H31N3O2.ClH/c1-2-15(21-14-6-4-3-5-7-14)16(20)18-10-13-19-11-8-17-9-12-19;/h14-15,17H,2-13H2,1H3,(H,18,20);1H
InChIKeyDMUVHINIZMXOSD-UHFFFAOYSA-N
XLogP1.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide
CID 97095327
2-cyclohexyloxy-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120654844
2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
(2R)-2-cyclopentyloxy-N-[3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 96533467
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120557800
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 111422434
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (CID 119447644) is 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is CCC(OC1CCCCC1)C(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The InChIKey is DMUVHINIZMXOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/c1-2-15(21-14-6-4-3-5-7-14)16(20)18-10-13-19-11-8-17-9-12-19;/h14-15,17H,2-13H2,1H3,(H,18,20);1H.
What are the key properties of 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119447644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).