4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride

C14H27ClN4O3 — CID 120920168

IUPAC4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)C2(CN)CCOCC2)CC1.Cl
InChIInChI=1S/C14H26N4O3.ClH/c1-2-16-13(20)18-7-5-17(6-8-18)12(19)14(11-15)3-9-21-10-4-14;/h2-11,15H2,1H3,(H,16,20);1H
InChIKeyWKQVCSLUOJKEIS-UHFFFAOYSA-N
MW334.85 g/mol
LogP0.04
Rot. Bonds3

About 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride

4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 120920168) has the molecular formula C14H27ClN4O3 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
PubChem CID120920168
Molecular FormulaC14H27ClN4O3
Molecular Weight334.85 g/mol
Exact Mass334.18
IUPAC Name4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)C2(CN)CCOCC2)CC1.Cl
InChIInChI=1S/C14H26N4O3.ClH/c1-2-16-13(20)18-7-5-17(6-8-18)12(19)14(11-15)3-9-21-10-4-14;/h2-11,15H2,1H3,(H,16,20);1H
InChIKeyWKQVCSLUOJKEIS-UHFFFAOYSA-N
XLogP0.04
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminooxane-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 115294193
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120941025
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
4-(1-aminocyclobutanecarbonyl)-N-ethylpiperazine-1-carboxamide
CID 81173172
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 120942772
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
4-[4-(aminomethyl)oxane-4-carbonyl]piperazine-2,6-dione
CID 66082926

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride (CID 120920168) is 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(C(=O)C2(CN)CCOCC2)CC1.Cl.
What is the InChIKey of 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is WKQVCSLUOJKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3.ClH/c1-2-16-13(20)18-7-5-17(6-8-18)12(19)14(11-15)3-9-21-10-4-14;/h2-11,15H2,1H3,(H,16,20);1H.
What are the key properties of 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120920168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).