4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride

C20H31ClN2O3 — CID 120623338

IUPAC4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC2(c3ccccc3)CCOCC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-16-20(7-11-21-12-8-20)18(23)22-15-19(9-13-25-14-10-19)17-5-3-2-4-6-17;/h2-6,21H,7-16H2,1H3,(H,22,23);1H
InChIKeyUYIDXHKHKGDOLP-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.29
Rot. Bonds6

About 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120623338) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120623338
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC2(c3ccccc3)CCOCC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-24-16-20(7-11-21-12-8-20)18(23)22-15-19(9-13-25-14-10-19)17-5-3-2-4-6-17;/h2-6,21H,7-16H2,1H3,(H,22,23);1H
InChIKeyUYIDXHKHKGDOLP-UHFFFAOYSA-N
XLogP2.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
CID 120625704
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619191
4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120629984
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride (CID 120623338) is 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC2(c3ccccc3)CCOCC2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is UYIDXHKHKGDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-24-16-20(7-11-21-12-8-20)18(23)22-15-19(9-13-25-14-10-19)17-5-3-2-4-6-17;/h2-6,21H,7-16H2,1H3,(H,22,23);1H.
What are the key properties of 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120623338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).