4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide

C20H29ClN2O3 — CID 120890135

IUPAC4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESCOCC1(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCNCC1
InChIInChI=1S/C20H29ClN2O3/c1-25-15-19(6-10-22-11-7-19)14-23-18(24)20(8-12-26-13-9-20)16-2-4-17(21)5-3-16/h2-5,22H,6-15H2,1H3,(H,23,24)
InChIKeyRHPUGUYRRYRWSN-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.52
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide

4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide (PubChem CID 120890135) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
PubChem CID120890135
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESCOCC1(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCNCC1
InChIInChI=1S/C20H29ClN2O3/c1-25-15-19(6-10-22-11-7-19)14-23-18(24)20(8-12-26-13-9-20)16-2-4-17(21)5-3-16/h2-5,22H,6-15H2,1H3,(H,23,24)
InChIKeyRHPUGUYRRYRWSN-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120888880
1-(3,5-dimethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120890775
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120888205
1-(3-methoxy-4-methylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890717
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
1-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 120890611
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 120890713
4-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-4-carboxamide
CID 56913916
2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120890396
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
CID 120625704

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide (CID 120890135) is 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide is COCC1(CNC(=O)C2(c3ccc(Cl)cc3)CCOCC2)CCNCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The InChIKey is RHPUGUYRRYRWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-25-15-19(6-10-22-11-7-19)14-23-18(24)20(8-12-26-13-9-20)16-2-4-17(21)5-3-16/h2-5,22H,6-15H2,1H3,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 120890135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).