1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride

C10H17Cl2N3O — CID 162335674

IUPAC1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccn(C2CCNCC2)c1
InChIInChI=1S/C10H15N3O.2ClH/c11-10(14)8-3-6-13(7-8)9-1-4-12-5-2-9;;/h3,6-7,9,12H,1-2,4-5H2,(H2,11,14);2*1H
InChIKeyUMQJEELWDWMQGO-UHFFFAOYSA-N
MW266.17 g/mol
LogP1.36
Rot. Bonds2

About 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride

1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride (PubChem CID 162335674) has the molecular formula C10H17Cl2N3O and a molecular weight of 266.17 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride
PubChem CID162335674
Molecular FormulaC10H17Cl2N3O
Molecular Weight266.17 g/mol
Exact Mass265.07
IUPAC Name1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccn(C2CCNCC2)c1
InChIInChI=1S/C10H15N3O.2ClH/c11-10(14)8-3-6-13(7-8)9-1-4-12-5-2-9;;/h3,6-7,9,12H,1-2,4-5H2,(H2,11,14);2*1H
InChIKeyUMQJEELWDWMQGO-UHFFFAOYSA-N
XLogP1.36
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperidin-4-ylbenzamide;hydrochloride
CID 68719929
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
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1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide
CID 175700216
4-amino-1-piperidin-4-ylpyrazole-3-carboxamide
CID 171058867
4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452693
1-piperidin-4-ylazetidine-3-carboxamide;dihydrochloride
CID 155973109
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride
CID 154866227
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
2-[(2-oxo-1-piperidin-4-yl-3-pyridinyl)oxy]acetamide
CID 82144396
3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436136
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride?
The IUPAC name of 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride (CID 162335674) is 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1ccn(C2CCNCC2)c1.
What is the InChIKey of 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride?
The InChIKey is UMQJEELWDWMQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.2ClH/c11-10(14)8-3-6-13(7-8)9-1-4-12-5-2-9;;/h3,6-7,9,12H,1-2,4-5H2,(H2,11,14);2*1H.
What are the key properties of 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride?
1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride has a molecular weight of 266.17 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 162335674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).