4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride

C15H31Cl2N3O2 — CID 120942328

IUPAC4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C2(CN)CCOCC2)CCN1C.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12-10-13(4-7-17(12)2)18(3)14(19)15(11-16)5-8-20-9-6-15;;/h12-13H,4-11,16H2,1-3H3;2*1H
InChIKeySUZUKFBECJCYCD-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.53
Rot. Bonds3

About 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride (PubChem CID 120942328) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride
PubChem CID120942328
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C2(CN)CCOCC2)CCN1C.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-12-10-13(4-7-17(12)2)18(3)14(19)15(11-16)5-8-20-9-6-15;;/h12-13H,4-11,16H2,1-3H3;2*1H
InChIKeySUZUKFBECJCYCD-UHFFFAOYSA-N
XLogP1.53
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(thiolan-3-yl)oxane-4-carboxamide;hydrochloride
CID 120942952
4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide
CID 120941164
1-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 115182657
2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide
CID 125118083
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120937073
4-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120922145
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
4-(aminomethyl)-N-cyclopropyl-N-(3-methylbutyl)oxane-4-carboxamide
CID 78977172
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
CID 63956780
2-amino-N-(1,2-dimethylpiperidin-4-yl)-N,3-dimethylpentanamide
CID 119893712
4-(aminomethyl)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyloxane-4-carboxamide
CID 120932426

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride (CID 120942328) is 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride is CC1CC(N(C)C(=O)C2(CN)CCOCC2)CCN1C.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride?
The InChIKey is SUZUKFBECJCYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-12-10-13(4-7-17(12)2)18(3)14(19)15(11-16)5-8-20-9-6-15;;/h12-13H,4-11,16H2,1-3H3;2*1H.
What are the key properties of 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120942328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).