4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride

C16H33Cl2N3O2 — CID 120939179

IUPAC4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride
SMILESCC1CCCCN1C(C)CNC(=O)C1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-13-5-3-4-8-19(13)14(2)11-18-15(20)16(12-17)6-9-21-10-7-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H
InChIKeyCIGFXSPHGFGQSC-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.96
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120939179) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120939179
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride
SMILESCC1CCCCN1C(C)CNC(=O)C1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-13-5-3-4-8-19(13)14(2)11-18-15(20)16(12-17)6-9-21-10-7-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H
InChIKeyCIGFXSPHGFGQSC-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxane-4-carboxamide
CID 120939231
4-(aminomethyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938863
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
4-(aminomethyl)-N-(3-ethyl-2-hydroxypentyl)oxane-4-carboxamide;hydrochloride
CID 120932439
4-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120937132
4-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]oxane-4-carboxamide
CID 115439786
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922768
4-(aminomethyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]oxane-4-carboxamide
CID 120941156
[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120937073
1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride (CID 120939179) is 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride is CC1CCCCN1C(C)CNC(=O)C1(CN)CCOCC1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is CIGFXSPHGFGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-13-5-3-4-8-19(13)14(2)11-18-15(20)16(12-17)6-9-21-10-7-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)propyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120939179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).