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

C12H19N3O — CID 81457630

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCC1CN(C(=O)c2ccc[nH]2)CCC1N
InChIInChI=1S/C12H19N3O/c1-2-9-8-15(7-5-10(9)13)12(16)11-4-3-6-14-11/h3-4,6,9-10,14H,2,5,7-8,13H2,1H3
InChIKeyKOGJEPNVIGCQAL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.21
Rot. Bonds2

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

(4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 81457630) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID81457630
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCC1CN(C(=O)c2ccc[nH]2)CCC1N
InChIInChI=1S/C12H19N3O/c1-2-9-8-15(7-5-10(9)13)12(16)11-4-3-6-14-11/h3-4,6,9-10,14H,2,5,7-8,13H2,1H3
InChIKeyKOGJEPNVIGCQAL-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]propan-1-one
CID 96581961
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525
(4-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 115276130
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone (CID 81457630) is (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone is CCC1CN(C(=O)c2ccc[nH]2)CCC1N.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is KOGJEPNVIGCQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-9-8-15(7-5-10(9)13)12(16)11-4-3-6-14-11/h3-4,6,9-10,14H,2,5,7-8,13H2,1H3.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
(4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 81457630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).