N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride

C17H22ClN3O — CID 120600855

IUPACN-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CCN1.Cl
InChIInChI=1S/C17H21N3O.ClH/c1-12-11-14(9-10-18-12)19-17(21)16-8-7-15(20-16)13-5-3-2-4-6-13;/h2-8,12,14,18,20H,9-11H2,1H3,(H,19,21);1H
InChIKeyLZLXSJXDVOODQO-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.97
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 120600855) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID120600855
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CCN1.Cl
InChIInChI=1S/C17H21N3O.ClH/c1-12-11-14(9-10-18-12)19-17(21)16-8-7-15(20-16)13-5-3-2-4-6-13;/h2-8,12,14,18,20H,9-11H2,1H3,(H,19,21);1H
InChIKeyLZLXSJXDVOODQO-UHFFFAOYSA-N
XLogP2.97
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 120599049
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CID 120598863
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
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CID 120599313
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CID 106995225
N-(2-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 120598684
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 106995370
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 120600855) is N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride is CC1CC(NC(=O)c2ccc(-c3ccccc3)[nH]2)CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is LZLXSJXDVOODQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.ClH/c1-12-11-14(9-10-18-12)19-17(21)16-8-7-15(20-16)13-5-3-2-4-6-13;/h2-8,12,14,18,20H,9-11H2,1H3,(H,19,21);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120600855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).