1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

C21H32N4O3 — CID 120645895

IUPAC1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)CCNCC1
InChIInChI=1S/C21H32N4O3/c1-28-15-21(8-10-23-11-9-21)20(27)24-18-6-4-16(5-7-18)13-25-12-2-3-17(14-25)19(22)26/h4-7,17,23H,2-3,8-15H2,1H3,(H2,22,26)(H,24,27)
InChIKeyGPPYKOBWCNBQDQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.34
Rot. Bonds7

About 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 120645895) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
PubChem CID120645895
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)CCNCC1
InChIInChI=1S/C21H32N4O3/c1-28-15-21(8-10-23-11-9-21)20(27)24-18-6-4-16(5-7-18)13-25-12-2-3-17(14-25)19(22)26/h4-7,17,23H,2-3,8-15H2,1H3,(H2,22,26)(H,24,27)
InChIKeyGPPYKOBWCNBQDQ-UHFFFAOYSA-N
XLogP1.34
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[4-[(4-methoxypiperidine-4-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872151
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507529
1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621372
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872164
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621371
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645907
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide (CID 120645895) is 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is COCC1(C(=O)Nc2ccc(CN3CCCC(C(N)=O)C3)cc2)CCNCC1.
What is the InChIKey of 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GPPYKOBWCNBQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-28-15-21(8-10-23-11-9-21)20(27)24-18-6-4-16(5-7-18)13-25-12-2-3-17(14-25)19(22)26/h4-7,17,23H,2-3,8-15H2,1H3,(H2,22,26)(H,24,27).
What are the key properties of 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide?
1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120645895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).