2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride

C14H27ClN4O2 — CID 120775148

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride
SMILESC=CCNC(=O)NC(=O)C(C)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-5-7-16-13(20)17-12(19)10(2)18-8-6-11(15)14(3,4)9-18;/h5,10-11H,1,6-9,15H2,2-4H3,(H2,16,17,19,20);1H
InChIKeyQOFFUIXAMMVMKI-UHFFFAOYSA-N
MW318.85 g/mol
LogP0.87
Rot. Bonds4

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride (PubChem CID 120775148) has the molecular formula C14H27ClN4O2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride
PubChem CID120775148
Molecular FormulaC14H27ClN4O2
Molecular Weight318.85 g/mol
Exact Mass318.18
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride
SMILESC=CCNC(=O)NC(=O)C(C)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C14H26N4O2.ClH/c1-5-7-16-13(20)17-12(19)10(2)18-8-6-11(15)14(3,4)9-18;/h5,10-11H,1,6-9,15H2,2-4H3,(H2,16,17,19,20);1H
InChIKeyQOFFUIXAMMVMKI-UHFFFAOYSA-N
XLogP0.87
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120775076
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120774618
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
CID 120774556
N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
CID 43037834
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120776079
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride (CID 120775148) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride is C=CCNC(=O)NC(=O)C(C)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride?
The InChIKey is QOFFUIXAMMVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.ClH/c1-5-7-16-13(20)17-12(19)10(2)18-8-6-11(15)14(3,4)9-18;/h5,10-11H,1,6-9,15H2,2-4H3,(H2,16,17,19,20);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)propanamide;hydrochloride is sourced from PubChem (CID 120775148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).