2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide

C21H30N4O3 — CID 91921620

IUPAC2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCOCCCn1c(C)cc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c1C
InChIInChI=1S/C21H30N4O3/c1-14-12-18(15(2)25(14)10-5-11-28-3)21(27)24-9-4-6-16(13-24)19-17(20(22)26)7-8-23-19/h7-8,12,16,23H,4-6,9-11,13H2,1-3H3,(H2,22,26)
InChIKeyUBHMQQOKWFJFQB-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.59
Rot. Bonds7

About 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide

2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 91921620) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID91921620
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCOCCCn1c(C)cc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c1C
InChIInChI=1S/C21H30N4O3/c1-14-12-18(15(2)25(14)10-5-11-28-3)21(27)24-9-4-6-16(13-24)19-17(20(22)26)7-8-23-19/h7-8,12,16,23H,4-6,9-11,13H2,1-3H3,(H2,22,26)
InChIKeyUBHMQQOKWFJFQB-UHFFFAOYSA-N
XLogP2.59
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 171144918
[4-(2-methoxyethoxy)piperidin-1-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 91918283
benzyl 3-[1-(3-methoxypropyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-yl]piperidine-1-carboxylate
CID 91043201
4-[(3R)-1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97196981
(3-aminopiperidin-1-yl)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119379195
[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 155881668
(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119381286
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119594525
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 38668899
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110880506
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575161
(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 111824446

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide (CID 91921620) is 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide is COCCCn1c(C)cc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c1C.
What is the InChIKey of 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is UBHMQQOKWFJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-12-18(15(2)25(14)10-5-11-28-3)21(27)24-9-4-6-16(13-24)19-17(20(22)26)7-8-23-19/h7-8,12,16,23H,4-6,9-11,13H2,1-3H3,(H2,22,26).
What are the key properties of 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91921620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).