4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

C14H24N4O — CID 61102372

IUPAC4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-6-4-11(5-7-18)17-13(19)12-8-10(15)9-16-12/h8-9,11,16H,4-7,15H2,1-3H3,(H,17,19)
InChIKeyZBTMPSQUMPCKGP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds2

About 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 61102372) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID61102372
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-6-4-11(5-7-18)17-13(19)12-8-10(15)9-16-12/h8-9,11,16H,4-7,15H2,1-3H3,(H,17,19)
InChIKeyZBTMPSQUMPCKGP-UHFFFAOYSA-N
XLogP1.59
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 43642104
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4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
CID 103062224
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
N-(1-tert-butylpiperidin-4-yl)-2H-triazole-4-carboxamide
CID 112733890
4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
CID 114122255
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
N-(1-tert-butylpiperidin-4-yl)-2,6-dichloropyridine-4-carboxamide
CID 61042495
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (CID 61102372) is 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is CC(C)(C)N1CCC(NC(=O)c2cc(N)c[nH]2)CC1.
What is the InChIKey of 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZBTMPSQUMPCKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)18-6-4-11(5-7-18)17-13(19)12-8-10(15)9-16-12/h8-9,11,16H,4-7,15H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61102372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).