N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C19H34N4O3 — CID 120887186

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCNCC1
InChIInChI=1S/C19H34N4O3/c1-26-15-19(6-8-20-9-7-19)14-21-17(24)16-5-4-12-23(13-16)18(25)22-10-2-3-11-22/h16,20H,2-15H2,1H3,(H,21,24)
InChIKeyHNQPFIGTNGGVHV-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.05
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 120887186) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID120887186
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCNCC1
InChIInChI=1S/C19H34N4O3/c1-26-15-19(6-8-20-9-7-19)14-21-17(24)16-5-4-12-23(13-16)18(25)22-10-2-3-11-22/h16,20H,2-15H2,1H3,(H,21,24)
InChIKeyHNQPFIGTNGGVHV-UHFFFAOYSA-N
XLogP1.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 120891848
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120888136
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 120888645
N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120889512
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120891396
3-(cyclopentanecarbonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 120887829
2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120887115
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120888824
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 120887186) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is COCC1(CNC(=O)C2CCCN(C(=O)N3CCCC3)C2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is HNQPFIGTNGGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-26-15-19(6-8-20-9-7-19)14-21-17(24)16-5-4-12-23(13-16)18(25)22-10-2-3-11-22/h16,20H,2-15H2,1H3,(H,21,24).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 120887186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).