1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone

C19H29N3O3 — CID 96573203

IUPAC1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
SMILESCC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1C
InChIInChI=1S/C19H29N3O3/c1-13-17(14(2)20-18(13)15(3)23)19(24)22-7-5-4-6-16(22)12-21-8-10-25-11-9-21/h16,20H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyCNGMAAHPYHINIF-MRXNPFEDSA-N
MW347.46 g/mol
LogP2.16
Rot. Bonds4

About 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone

1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone (PubChem CID 96573203) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
PubChem CID96573203
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
SMILESCC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1C
InChIInChI=1S/C19H29N3O3/c1-13-17(14(2)20-18(13)15(3)23)19(24)22-7-5-4-6-16(22)12-21-8-10-25-11-9-21/h16,20H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyCNGMAAHPYHINIF-MRXNPFEDSA-N
XLogP2.16
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 47101065
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 97123700
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 99974262
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
2-methyl-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4,5-dihydro-1H-cyclopenta[b]pyrrol-6-one
CID 58697854
methyl 5-[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 52512147
(2,4-dimethyl-1H-pyrrol-3-yl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 141401424
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone?
The IUPAC name of 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone (CID 96573203) is 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone is CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone?
The InChIKey is CNGMAAHPYHINIF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-17(14(2)20-18(13)15(3)23)19(24)22-7-5-4-6-16(22)12-21-8-10-25-11-9-21/h16,20H,4-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone?
1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 96573203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).