N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

C18H28N4O3 — CID 120891798

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCOCC1(CNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCNCC1
InChIInChI=1S/C18H28N4O3/c1-25-13-18(4-6-19-7-5-18)12-21-16(23)14-10-15(20-11-14)17(24)22-8-2-3-9-22/h10-11,19-20H,2-9,12-13H2,1H3,(H,21,23)
InChIKeyGAUHZWYVKRFUMF-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.00
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (PubChem CID 120891798) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
PubChem CID120891798
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCOCC1(CNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCNCC1
InChIInChI=1S/C18H28N4O3/c1-25-13-18(4-6-19-7-5-18)12-21-16(23)14-10-15(20-11-14)17(24)22-8-2-3-9-22/h10-11,19-20H,2-9,12-13H2,1H3,(H,21,23)
InChIKeyGAUHZWYVKRFUMF-UHFFFAOYSA-N
XLogP1.00
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 120889014
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 120888817
3-bromo-5-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887847
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride
CID 120892059
4-(2-methoxyethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 120890345
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 120890389
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (CID 120891798) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is COCC1(CNC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The InChIKey is GAUHZWYVKRFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-25-13-18(4-6-19-7-5-18)12-21-16(23)14-10-15(20-11-14)17(24)22-8-2-3-9-22/h10-11,19-20H,2-9,12-13H2,1H3,(H,21,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 120891798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).