(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide

C17H26N2O3 — CID 120618207

IUPAC(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-12-14(8-9-18-13)17(20)19(2)10-11-22-16-6-4-15(21-3)5-7-16/h4-7,13-14,18H,8-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyAWAABLGOGYCUGS-KBPBESRZSA-N
MW306.41 g/mol
LogP1.92
Rot. Bonds6

About (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120618207) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120618207
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-13-12-14(8-9-18-13)17(20)19(2)10-11-22-16-6-4-15(21-3)5-7-16/h4-7,13-14,18H,8-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyAWAABLGOGYCUGS-KBPBESRZSA-N
XLogP1.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
(2S,4S)-N-[2-(4-bromophenoxy)ethyl]-N-ethyl-2-methylpiperidine-4-carboxamide
CID 120636375
N-[2-(4-chlorophenoxy)ethyl]-N,4-dimethylpiperidine-2-carboxamide
CID 114423293
(2S,4S)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633818
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620551
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide (CID 120618207) is (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide is COc1ccc(OCCN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is AWAABLGOGYCUGS-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-12-14(8-9-18-13)17(20)19(2)10-11-22-16-6-4-15(21-3)5-7-16/h4-7,13-14,18H,8-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120618207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).