N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide

C17H26N2O3 — CID 136516553

IUPACN-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide
SMILESCOc1cccc(OC(C)CNC(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C17H26N2O3/c1-13(22-15-7-4-6-14(10-15)21-3)11-19-16(20)17(2)8-5-9-18-12-17/h4,6-7,10,13,18H,5,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyMSXZWSGYXNZSBA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide

N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide (PubChem CID 136516553) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide
PubChem CID136516553
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide
SMILESCOc1cccc(OC(C)CNC(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C17H26N2O3/c1-13(22-15-7-4-6-14(10-15)21-3)11-19-16(20)17(2)8-5-9-18-12-17/h4,6-7,10,13,18H,5,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyMSXZWSGYXNZSBA-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 102694942
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 81373361
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120636251
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636250
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide (CID 136516553) is N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide is COc1cccc(OC(C)CNC(=O)C2(C)CCCNC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is MSXZWSGYXNZSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(22-15-7-4-6-14(10-15)21-3)11-19-16(20)17(2)8-5-9-18-12-17/h4,6-7,10,13,18H,5,8-9,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide?
N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 136516553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).