N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C22H33ClN2O4 — CID 120619191

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CCNCC1.Cl
InChIInChI=1S/C22H32N2O4.ClH/c1-26-16-22(8-10-23-11-9-22)20(25)24-15-21(6-2-3-7-21)17-4-5-18-19(14-17)28-13-12-27-18;/h4-5,14,23H,2-3,6-13,15-16H2,1H3,(H,24,25);1H
InChIKeyVXZSXSOTDZWANA-UHFFFAOYSA-N
MW424.97 g/mol
LogP2.82
Rot. Bonds6

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120619191) has the molecular formula C22H33ClN2O4 and a molecular weight of 424.97 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120619191
Molecular FormulaC22H33ClN2O4
Molecular Weight424.97 g/mol
Exact Mass424.21
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CCNCC1.Cl
InChIInChI=1S/C22H32N2O4.ClH/c1-26-16-22(8-10-23-11-9-22)20(25)24-15-21(6-2-3-7-21)17-4-5-18-19(14-17)28-13-12-27-18;/h4-5,14,23H,2-3,6-13,15-16H2,1H3,(H,24,25);1H
InChIKeyVXZSXSOTDZWANA-UHFFFAOYSA-N
XLogP2.82
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120623338
4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
CID 120625704
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
2-(cyclopropylmethylamino)-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119697130
4-(methoxymethyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120629984
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 47050546
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067809
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120619191) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CCNCC1.Cl.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is VXZSXSOTDZWANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4.ClH/c1-26-16-22(8-10-23-11-9-22)20(25)24-15-21(6-2-3-7-21)17-4-5-18-19(14-17)28-13-12-27-18;/h4-5,14,23H,2-3,6-13,15-16H2,1H3,(H,24,25);1H.
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 424.97 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120619191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).