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

C22H35N3O3 — CID 120645450

IUPAC4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)CCNCC1
InChIInChI=1S/C22H35N3O3/c1-27-17-22(9-11-23-12-10-22)21(26)24-15-18-7-13-25(14-8-18)16-19-3-5-20(28-2)6-4-19/h3-6,18,23H,7-17H2,1-2H3,(H,24,26)
InChIKeySXSLHYPCXJXBOR-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.04
Rot. Bonds8

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

4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 120645450) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
PubChem CID120645450
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)CCNCC1
InChIInChI=1S/C22H35N3O3/c1-27-17-22(9-11-23-12-10-22)21(26)24-15-18-7-13-25(14-8-18)16-19-3-5-20(28-2)6-4-19/h3-6,18,23H,7-17H2,1-2H3,(H,24,26)
InChIKeySXSLHYPCXJXBOR-UHFFFAOYSA-N
XLogP2.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119865560
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120641513
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 120645829
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 125171754
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
CID 154738097
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645907
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640711
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120622626

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (CID 120645450) is 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is COCC1(C(=O)NCC2CCN(Cc3ccc(OC)cc3)CC2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is SXSLHYPCXJXBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-27-17-22(9-11-23-12-10-22)21(26)24-15-18-7-13-25(14-8-18)16-19-3-5-20(28-2)6-4-19/h3-6,18,23H,7-17H2,1-2H3,(H,24,26).
What are the key properties of 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120645450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).