N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

C18H39Cl2N3O2 — CID 120641178

IUPACN-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1(COC)CCNCC1)CC(C)C.Cl.Cl
InChIInChI=1S/C18H37N3O2.2ClH/c1-6-21(7-2)16(12-15(3)4)13-20-17(22)18(14-23-5)8-10-19-11-9-18;;/h15-16,19H,6-14H2,1-5H3,(H,20,22);2*1H
InChIKeyNAUJDYQLLZXXAI-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.72
Rot. Bonds10

About N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120641178) has the molecular formula C18H39Cl2N3O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120641178
Molecular FormulaC18H39Cl2N3O2
Molecular Weight400.44 g/mol
Exact Mass399.24
IUPAC NameN-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCCN(CC)C(CNC(=O)C1(COC)CCNCC1)CC(C)C.Cl.Cl
InChIInChI=1S/C18H37N3O2.2ClH/c1-6-21(7-2)16(12-15(3)4)13-20-17(22)18(14-23-5)8-10-19-11-9-18;;/h15-16,19H,6-14H2,1-5H3,(H,20,22);2*1H
InChIKeyNAUJDYQLLZXXAI-UHFFFAOYSA-N
XLogP2.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642373
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114154115
4-(methoxymethyl)-N-(2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 120642361
N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636214
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647879
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120622626
4-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120645519
N-(2-ethoxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620372
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (CID 120641178) is N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is CCN(CC)C(CNC(=O)C1(COC)CCNCC1)CC(C)C.Cl.Cl.
What is the InChIKey of N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is NAUJDYQLLZXXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2.2ClH/c1-6-21(7-2)16(12-15(3)4)13-20-17(22)18(14-23-5)8-10-19-11-9-18;;/h15-16,19H,6-14H2,1-5H3,(H,20,22);2*1H.
What are the key properties of N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 400.44 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylpentyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120641178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).