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

C15H21N3O3 — CID 114423054

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O3/c1-10-6-7-17-13(8-10)15(20)18-11-2-4-12(5-3-11)21-9-14(16)19/h2-5,10,13,17H,6-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLNFIGEHAXLXEGT-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.88
Rot. Bonds5

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

N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114423054) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
PubChem CID114423054
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O3/c1-10-6-7-17-13(8-10)15(20)18-11-2-4-12(5-3-11)21-9-14(16)19/h2-5,10,13,17H,6-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyLNFIGEHAXLXEGT-UHFFFAOYSA-N
XLogP0.88
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
CID 64564189
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
4-methyl-N-(4-methylsulfanylphenyl)piperidine-2-carboxamide
CID 114422593
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 114424331
4-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 114422983
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
4-methyl-N-(4-nitrophenyl)piperidine-2-carboxamide
CID 114422736
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide (CID 114423054) is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2ccc(OCC(N)=O)cc2)C1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is LNFIGEHAXLXEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-6-7-17-13(8-10)15(20)18-11-2-4-12(5-3-11)21-9-14(16)19/h2-5,10,13,17H,6-9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.88, 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]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).