4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide

C17H33N3O2 — CID 120645530

IUPAC4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2CCCN(C(C)C)C2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14(2)20-10-4-5-15(12-20)11-19-16(21)17(13-22-3)6-8-18-9-7-17/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyZTEYGTFOSQWKNA-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.24
Rot. Bonds6

About 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 120645530) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
PubChem CID120645530
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2CCCN(C(C)C)C2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14(2)20-10-4-5-15(12-20)11-19-16(21)17(13-22-3)6-8-18-9-7-17/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyZTEYGTFOSQWKNA-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 120645829
1-(aminomethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588258
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
2-(3,4-dimethoxyphenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 51098673
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
4-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645446
4-(methoxymethyl)-N-(2-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 120642361
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120647879
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide (CID 120645530) is 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide is COCC1(C(=O)NCC2CCCN(C(C)C)C2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZTEYGTFOSQWKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14(2)20-10-4-5-15(12-20)11-19-16(21)17(13-22-3)6-8-18-9-7-17/h14-15,18H,4-13H2,1-3H3,(H,19,21).
What are the key properties of 4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.24, 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-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120645530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).