4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide

C20H31N3O2 — CID 120941164

IUPAC4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1(CN)CCOCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-22(19(24)20(16-21)9-13-25-14-10-20)18-7-11-23(12-8-18)15-17-5-3-2-4-6-17/h2-6,18H,7-16,21H2,1H3
InChIKeyWCYPHNZBMSPPFB-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.86
Rot. Bonds5

About 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide

4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide (PubChem CID 120941164) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide
PubChem CID120941164
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide
SMILESCN(C(=O)C1(CN)CCOCC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c1-22(19(24)20(16-21)9-13-25-14-10-20)18-7-11-23(12-8-18)15-17-5-3-2-4-6-17/h2-6,18H,7-16,21H2,1H3
InChIKeyWCYPHNZBMSPPFB-UHFFFAOYSA-N
XLogP1.86
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
4-(aminomethyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyloxane-4-carboxamide;dihydrochloride
CID 120942638
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
4-(aminomethyl)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyloxane-4-carboxamide
CID 120932426
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride
CID 120942328
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
CID 119878310
4-(aminomethyl)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxane-4-carboxamide
CID 120940311
[4-(aminomethyl)oxan-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938039
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide (CID 120941164) is 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide is CN(C(=O)C1(CN)CCOCC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide?
The InChIKey is WCYPHNZBMSPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(19(24)20(16-21)9-13-25-14-10-20)18-7-11-23(12-8-18)15-17-5-3-2-4-6-17/h2-6,18H,7-16,21H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide?
4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 120941164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).