N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C15H31Cl2N3O2 — CID 119889098

IUPACN-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NC2CCCC(N(C)C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-18(2)13-6-4-5-12(11-13)17-14(19)15(20-3)7-9-16-10-8-15;;/h12-13,16H,4-11H2,1-3H3,(H,17,19);2*1H
InChIKeyCTIWQVVOJMSPMH-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.59
Rot. Bonds4

About N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119889098) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119889098
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC NameN-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NC2CCCC(N(C)C)C2)CCNCC1.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-18(2)13-6-4-5-12(11-13)17-14(19)15(20-3)7-9-16-10-8-15;;/h12-13,16H,4-11H2,1-3H3,(H,17,19);2*1H
InChIKeyCTIWQVVOJMSPMH-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
N-(4-hydroxycyclohexyl)-4-methoxypiperidine-4-carboxamide
CID 114284541
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301
1-amino-N-[3-(dimethylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 119889043
N-(2-cyclohexylcyclopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119803923
N-cyclopropyl-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119722184
4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119756569
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546
N-[3-(dimethylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 119889097
N-(3-hydroxycyclohexyl)-4-methylpiperidine-4-carboxamide
CID 55179480
N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
CID 119821940
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862948

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119889098) is N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NC2CCCC(N(C)C)C2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is CTIWQVVOJMSPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-18(2)13-6-4-5-12(11-13)17-14(19)15(20-3)7-9-16-10-8-15;;/h12-13,16H,4-11H2,1-3H3,(H,17,19);2*1H.
What are the key properties of N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)cyclohexyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119889098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).