4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

C19H30N2O3 — CID 120622091

IUPAC4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2cccc(OC(C)C)c2)CCNCC1
InChIInChI=1S/C19H30N2O3/c1-14(2)24-17-7-5-6-16(12-17)15(3)21-18(22)19(13-23-4)8-10-20-11-9-19/h5-7,12,14-15,20H,8-11,13H2,1-4H3,(H,21,22)
InChIKeyZNNRDEHEZSSUKW-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.67
Rot. Bonds7

About 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 120622091) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID120622091
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2cccc(OC(C)C)c2)CCNCC1
InChIInChI=1S/C19H30N2O3/c1-14(2)24-17-7-5-6-16(12-17)15(3)21-18(22)19(13-23-4)8-10-20-11-9-19/h5-7,12,14-15,20H,8-11,13H2,1-4H3,(H,21,22)
InChIKeyZNNRDEHEZSSUKW-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 119721118
4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 120629843
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
4-(aminomethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120923965
4-(methoxymethyl)-N-(3-phenylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120633881
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (CID 120622091) is 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is COCC1(C(=O)NC(C)c2cccc(OC(C)C)c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is ZNNRDEHEZSSUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)24-17-7-5-6-16(12-17)15(3)21-18(22)19(13-23-4)8-10-20-11-9-19/h5-7,12,14-15,20H,8-11,13H2,1-4H3,(H,21,22).
What are the key properties of 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120622091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).