(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone

C12H19N3O — CID 43644014

IUPAC(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cc(N)c[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-2-9-4-3-5-15(8-9)12(16)11-6-10(13)7-14-11/h6-7,9,14H,2-5,8,13H2,1H3
InChIKeySDBHUDCHEMBKFV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds2

About (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone

(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone (PubChem CID 43644014) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
PubChem CID43644014
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cc(N)c[nH]2)C1
InChIInChI=1S/C12H19N3O/c1-2-9-4-3-5-15(8-9)12(16)11-6-10(13)7-14-11/h6-7,9,14H,2-5,8,13H2,1H3
InChIKeySDBHUDCHEMBKFV-UHFFFAOYSA-N
XLogP1.86
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604483
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-hydroxypiperidin-1-yl)methanone
CID 43642092
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
2-[1-(4-amino-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 61110354
3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103337171
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372670
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone (CID 43644014) is (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2cc(N)c[nH]2)C1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is SDBHUDCHEMBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-9-4-3-5-15(8-9)12(16)11-6-10(13)7-14-11/h6-7,9,14H,2-5,8,13H2,1H3.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 43644014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).