(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C16H26N2O2 — CID 111434119

IUPAC(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCn1c(C)cc(C(=O)N2CCC(C(C)O)CC2)c1C
InChIInChI=1S/C16H26N2O2/c1-5-18-11(2)10-15(12(18)3)16(20)17-8-6-14(7-9-17)13(4)19/h10,13-14,19H,5-9H2,1-4H3
InChIKeyOMHIMFNMWASDDF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds3

About (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 111434119) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID111434119
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCCn1c(C)cc(C(=O)N2CCC(C(C)O)CC2)c1C
InChIInChI=1S/C16H26N2O2/c1-5-18-11(2)10-15(12(18)3)16(20)17-8-6-14(7-9-17)13(4)19/h10,13-14,19H,5-9H2,1-4H3
InChIKeyOMHIMFNMWASDDF-UHFFFAOYSA-N
XLogP2.36
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023367
(4-aminopiperidin-1-yl)-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119375051
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95877164
[4-(aminomethyl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119423503
(2,5-dimethyl-1-phenylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429806
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 75443653
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 56817989
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 126810852
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124686397
7-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 164921632
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111113853
4-[(3R)-1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97196981

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 111434119) is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CCn1c(C)cc(C(=O)N2CCC(C(C)O)CC2)c1C.
What is the InChIKey of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is OMHIMFNMWASDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-18-11(2)10-15(12(18)3)16(20)17-8-6-14(7-9-17)13(4)19/h10,13-14,19H,5-9H2,1-4H3.
What are the key properties of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 111434119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).