N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide

C17H27N3O2 — CID 119946458

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C17H27N3O2/c1-17(9-4-10-18-13-17)16(21)19-14-5-7-15(8-6-14)22-12-11-20(2)3/h5-8,18H,4,9-13H2,1-3H3,(H,19,21)
InChIKeyLTQBXBTZWZFQBE-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.96
Rot. Bonds6

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide (PubChem CID 119946458) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
PubChem CID119946458
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(C)CCCNC2)cc1
InChIInChI=1S/C17H27N3O2/c1-17(9-4-10-18-13-17)16(21)19-14-5-7-15(8-6-14)22-12-11-20(2)3/h5-8,18H,4,9-13H2,1-3H3,(H,19,21)
InChIKeyLTQBXBTZWZFQBE-UHFFFAOYSA-N
XLogP1.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944287
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylpiperidine-3-carboxamide
CID 119943919
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111536806
1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100666490

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide (CID 119946458) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide is CN(C)CCOc1ccc(NC(=O)C2(C)CCCNC2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is LTQBXBTZWZFQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(9-4-10-18-13-17)16(21)19-14-5-7-15(8-6-14)22-12-11-20(2)3/h5-8,18H,4,9-13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 119946458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).