2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

C12H18N4O2 — CID 61110354

IUPAC2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H18N4O2/c13-9-6-10(15-7-9)12(18)16-3-1-8(2-4-16)5-11(14)17/h6-8,15H,1-5,13H2,(H2,14,17)
InChIKeyJJGMTUXWBNXWAT-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.32
Rot. Bonds3

About 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 61110354) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID61110354
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cc(N)c[nH]2)CC1
InChIInChI=1S/C12H18N4O2/c13-9-6-10(15-7-9)12(18)16-3-1-8(2-4-16)5-11(14)17/h6-8,15H,1-5,13H2,(H2,14,17)
InChIKeyJJGMTUXWBNXWAT-UHFFFAOYSA-N
XLogP0.32
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092
(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 61114248
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-1H-pyrrol-2-yl)methanone
CID 115558672
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 60978074
2-[1-(4-nitro-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615664
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 61110354) is 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2cc(N)c[nH]2)CC1.
What is the InChIKey of 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is JJGMTUXWBNXWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-9-6-10(15-7-9)12(18)16-3-1-8(2-4-16)5-11(14)17/h6-8,15H,1-5,13H2,(H2,14,17).
What are the key properties of 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 61110354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).