4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C21H33N3O2 — CID 120641523

IUPAC4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCNCC1
InChIInChI=1S/C21H33N3O2/c1-17-5-3-4-6-18(17)15-24-13-7-19(8-14-24)23-20(25)21(16-26-2)9-11-22-12-10-21/h3-6,19,22H,7-16H2,1-2H3,(H,23,25)
InChIKeyNXNPYUSQYUUNET-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.09
Rot. Bonds6

About 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 120641523) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID120641523
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCNCC1
InChIInChI=1S/C21H33N3O2/c1-17-5-3-4-6-18(17)15-24-13-7-19(8-14-24)23-20(25)21(16-26-2)9-11-22-12-10-21/h3-6,19,22H,7-16H2,1-2H3,(H,23,25)
InChIKeyNXNPYUSQYUUNET-UHFFFAOYSA-N
XLogP2.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120641513
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
4-(methoxymethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 120647651
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645726
4-(methoxymethyl)-N-(3-phenylcyclobutyl)piperidine-4-carboxamide;hydrochloride
CID 120630981
4-(methoxymethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120618086
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
4-(methoxymethyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645765
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
CID 126785841

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 120641523) is 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is COCC1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NXNPYUSQYUUNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17-5-3-4-6-18(17)15-24-13-7-19(8-14-24)23-20(25)21(16-26-2)9-11-22-12-10-21/h3-6,19,22H,7-16H2,1-2H3,(H,23,25).
What are the key properties of 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120641523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).