N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride

C19H33ClN2O2 — CID 119730855

IUPACN-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CCNCC1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-21(17(22)19(23-2)3-5-20-6-4-19)13-18-10-14-7-15(11-18)9-16(8-14)12-18;/h14-16,20H,3-13H2,1-2H3;1H
InChIKeyBMVVNSJWDSQKKT-UHFFFAOYSA-N
MW356.94 g/mol
LogP2.85
Rot. Bonds4

About N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride

N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119730855) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119730855
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC NameN-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CCNCC1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-21(17(22)19(23-2)3-5-20-6-4-19)13-18-10-14-7-15(11-18)9-16(8-14)12-18;/h14-16,20H,3-13H2,1-2H3;1H
InChIKeyBMVVNSJWDSQKKT-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119708518
N-(cyclopentylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119759240
N-(cyclohexylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119704445
4-methoxy-N,N-dimethylpiperidine-4-carboxamide
CID 84660627
N-(cyclobutylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119770688
N-butyl-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119672323
N-cyclopropyl-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119722184
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119688975
4-methoxy-N-methyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 119708795
4-methoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119859315
N-[(4-ethylphenyl)methyl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119681307
4-methoxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 119818688

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119730855) is N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride is COC1(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CCNCC1.Cl.
What is the InChIKey of N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BMVVNSJWDSQKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-21(17(22)19(23-2)3-5-20-6-4-19)13-18-10-14-7-15(11-18)9-16(8-14)12-18;/h14-16,20H,3-13H2,1-2H3;1H.
What are the key properties of N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride?
N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119730855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).