N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride

C8H14ClN3O2 — CID 90460237

IUPACN-prop-2-enoylpiperazine-2-carboxamide;hydrochloride
SMILESC=CC(=O)NC(=O)C1CNCCN1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-2-7(12)11-8(13)6-5-9-3-4-10-6;/h2,6,9-10H,1,3-5H2,(H,11,12,13);1H
InChIKeyGRKUWTMXMWVOBZ-UHFFFAOYSA-N
MW219.67 g/mol
LogP-1.20
Rot. Bonds2

About N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride

N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride (PubChem CID 90460237) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enoylpiperazine-2-carboxamide;hydrochloride
PubChem CID90460237
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC NameN-prop-2-enoylpiperazine-2-carboxamide;hydrochloride
SMILESC=CC(=O)NC(=O)C1CNCCN1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-2-7(12)11-8(13)6-5-9-3-4-10-6;/h2,6,9-10H,1,3-5H2,(H,11,12,13);1H
InChIKeyGRKUWTMXMWVOBZ-UHFFFAOYSA-N
XLogP-1.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide
CID 126649587
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
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N-cyclopropylpiperazine-2-carboxamide
CID 83806832
piperazine-2-carboxylic acid;hydrochloride
CID 52987850
(2R)-N-(2-hydroxyethyl)piperazine-2-carboxamide
CID 129371742
piperazine-2-carboxylic acid
CID 2723758
N-(2,2-dimethylpropyl)piperazine-2-carboxamide
CID 63103456
N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
CID 83121811
N-(3-methylpentan-3-yl)piperazine-2-carboxamide
CID 106329297
N-imidazolidin-2-ylprop-2-enamide
CID 68795650
N-(4-fluorophenyl)piperazine-2-carboxamide
CID 63103447
N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 167160475

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride?
The IUPAC name of N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride (CID 90460237) is N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride is C=CC(=O)NC(=O)C1CNCCN1.Cl.
What is the InChIKey of N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride?
The InChIKey is GRKUWTMXMWVOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-2-7(12)11-8(13)6-5-9-3-4-10-6;/h2,6,9-10H,1,3-5H2,(H,11,12,13);1H.
What are the key properties of N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride?
N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoylpiperazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 90460237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).