4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

C14H18BrN3O2 — CID 47150973

IUPAC4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C14H18BrN3O2/c15-10-7-12(16-8-10)13(19)17-11-3-5-18(6-4-11)14(20)9-1-2-9/h7-9,11,16H,1-6H2,(H,17,19)
InChIKeyYFNZTTAANJGMRB-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.91
Rot. Bonds3

About 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 47150973) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID47150973
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C14H18BrN3O2/c15-10-7-12(16-8-10)13(19)17-11-3-5-18(6-4-11)14(20)9-1-2-9/h7-9,11,16H,1-6H2,(H,17,19)
InChIKeyYFNZTTAANJGMRB-UHFFFAOYSA-N
XLogP1.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932946
4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 112724292
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260
4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-pyrrole-2-carboxamide
CID 65470309
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47028354
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 25346048
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 32978533
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 43711892
N-[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 31421628
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-ethylfuran-2-carboxamide
CID 46408699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 47150973) is 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is YFNZTTAANJGMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-10-7-12(16-8-10)13(19)17-11-3-5-18(6-4-11)14(20)9-1-2-9/h7-9,11,16H,1-6H2,(H,17,19).
What are the key properties of 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47150973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).