N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119944287

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCNC1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-15(7-2-8-17-10-15)14(20)18-11-3-5-12(6-4-11)21-9-13(16)19;/h3-6,17H,2,7-10H2,1H3,(H2,16,19)(H,18,20);1H
InChIKeyDILUMCVBZRNFEJ-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.30
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119944287) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119944287
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCNC1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-15(7-2-8-17-10-15)14(20)18-11-3-5-12(6-4-11)21-9-13(16)19;/h3-6,17H,2,7-10H2,1H3,(H2,16,19)(H,18,20);1H
InChIKeyDILUMCVBZRNFEJ-UHFFFAOYSA-N
XLogP1.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpiperidine-3-carboxamide
CID 119946458
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride (CID 119944287) is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride is CC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCNC1.Cl.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is DILUMCVBZRNFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-15(7-2-8-17-10-15)14(20)18-11-3-5-12(6-4-11)21-9-13(16)19;/h3-6,17H,2,7-10H2,1H3,(H2,16,19)(H,18,20);1H.
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride?
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).