N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide

C13H20N4O2 — CID 61110247

IUPACN-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(N)cn2C)C1
InChIInChI=1S/C13H20N4O2/c1-9(18)15-11-4-3-5-17(8-11)13(19)12-6-10(14)7-16(12)2/h6-7,11H,3-5,8,14H2,1-2H3,(H,15,18)
InChIKeyRFWDBGXNSKFWQY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.35
Rot. Bonds2

About N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide

N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 61110247) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID61110247
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(N)cn2C)C1
InChIInChI=1S/C13H20N4O2/c1-9(18)15-11-4-3-5-17(8-11)13(19)12-6-10(14)7-16(12)2/h6-7,11H,3-5,8,14H2,1-2H3,(H,15,18)
InChIKeyRFWDBGXNSKFWQY-UHFFFAOYSA-N
XLogP0.35
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrrol-2-yl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150471
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-1-methylpyrrol-2-yl)methanone
CID 61108285
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956161
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
(4-amino-1-methylpyrrol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 43643113
N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 61108163
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
(4-amino-1-methylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43642026
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114542489

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide (CID 61110247) is N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2cc(N)cn2C)C1.
What is the InChIKey of N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is RFWDBGXNSKFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(18)15-11-4-3-5-17(8-11)13(19)12-6-10(14)7-16(12)2/h6-7,11H,3-5,8,14H2,1-2H3,(H,15,18).
What are the key properties of N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 61110247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).