N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride

C14H24ClN3O2 — CID 120889500

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2c[nH]cc2C)CCNCC1.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-11-7-16-8-12(11)13(18)17-9-14(10-19-2)3-5-15-6-4-14;/h7-8,15-16H,3-6,9-10H2,1-2H3,(H,17,18);1H
InChIKeyKUEXWAJXIVDEFZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.49
Rot. Bonds5

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 120889500) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID120889500
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2c[nH]cc2C)CCNCC1.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-11-7-16-8-12(11)13(18)17-9-14(10-19-2)3-5-15-6-4-14;/h7-8,15-16H,3-6,9-10H2,1-2H3,(H,17,18);1H
InChIKeyKUEXWAJXIVDEFZ-UHFFFAOYSA-N
XLogP1.49
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 120889298
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 120889500) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride is COCC1(CNC(=O)c2c[nH]cc2C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is KUEXWAJXIVDEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c1-11-7-16-8-12(11)13(18)17-9-14(10-19-2)3-5-15-6-4-14;/h7-8,15-16H,3-6,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120889500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).