(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone

C12H19N3O — CID 117213765

IUPAC(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone
SMILESCCn1ccc(C(=O)N2CCCCC2)c1N
InChIInChI=1S/C12H19N3O/c1-2-14-9-6-10(11(14)13)12(16)15-7-4-3-5-8-15/h6,9H,2-5,7-8,13H2,1H3
InChIKeyDIEFSDHFNNNSOP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.72
Rot. Bonds2

About (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone

(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone (PubChem CID 117213765) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone
PubChem CID117213765
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone
SMILESCCn1ccc(C(=O)N2CCCCC2)c1N
InChIInChI=1S/C12H19N3O/c1-2-14-9-6-10(11(14)13)12(16)15-7-4-3-5-8-15/h6,9H,2-5,7-8,13H2,1H3
InChIKeyDIEFSDHFNNNSOP-UHFFFAOYSA-N
XLogP1.72
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
CID 117213585
4-(azocane-1-carbonyl)-1-ethylpyridin-2-one
CID 74249419
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
2-(piperidine-1-carbonyl)phenolate
CID 101121314
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 102538189
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
(3-amino-1-ethylpyrazol-5-yl)-(azepan-1-yl)methanone
CID 117218466
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone (CID 117213765) is (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone is CCn1ccc(C(=O)N2CCCCC2)c1N.
What is the InChIKey of (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is DIEFSDHFNNNSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-14-9-6-10(11(14)13)12(16)15-7-4-3-5-8-15/h6,9H,2-5,7-8,13H2,1H3.
What are the key properties of (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone?
(2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 221.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 117213765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).