N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride

C16H30ClN3O3 — CID 120929371

IUPACN-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NC1CCCN(C(=O)C2(CN)CCOCC2)C1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-12(2)14(20)18-13-4-3-7-19(10-13)15(21)16(11-17)5-8-22-9-6-16;/h12-13H,3-11,17H2,1-2H3,(H,18,20);1H
InChIKeyMOWAIYAEOMHIKV-UHFFFAOYSA-N
MW347.89 g/mol
LogP0.93
Rot. Bonds4

About N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride

N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride (PubChem CID 120929371) has the molecular formula C16H30ClN3O3 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
PubChem CID120929371
Molecular FormulaC16H30ClN3O3
Molecular Weight347.89 g/mol
Exact Mass347.20
IUPAC NameN-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NC1CCCN(C(=O)C2(CN)CCOCC2)C1.Cl
InChIInChI=1S/C16H29N3O3.ClH/c1-12(2)14(20)18-13-4-3-7-19(10-13)15(21)16(11-17)5-8-22-9-6-16;/h12-13H,3-11,17H2,1-2H3,(H,18,20);1H
InChIKeyMOWAIYAEOMHIKV-UHFFFAOYSA-N
XLogP0.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
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N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
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N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120937372
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 119761594
[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 120941407
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
[4-(aminomethyl)oxan-4-yl]-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120940816
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride (CID 120929371) is N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)NC1CCCN(C(=O)C2(CN)CCOCC2)C1.Cl.
What is the InChIKey of N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
The InChIKey is MOWAIYAEOMHIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3.ClH/c1-12(2)14(20)18-13-4-3-7-19(10-13)15(21)16(11-17)5-8-22-9-6-16;/h12-13H,3-11,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride?
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 120929371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).