methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

C18H29N3O3 — CID 60579760

IUPACmethyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)N2CCC(N(C)C)CC2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C18H29N3O3/c1-6-7-14-15(18(23)24-5)12(2)19-16(14)17(22)21-10-8-13(9-11-21)20(3)4/h13,19H,6-11H2,1-5H3
InChIKeyBURIRKUPQYFTSM-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.23
Rot. Bonds5

About methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (PubChem CID 60579760) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
PubChem CID60579760
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Namemethyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)N2CCC(N(C)C)CC2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C18H29N3O3/c1-6-7-14-15(18(23)24-5)12(2)19-16(14)17(22)21-10-8-13(9-11-21)20(3)4/h13,19H,6-11H2,1-5H3
InChIKeyBURIRKUPQYFTSM-UHFFFAOYSA-N
XLogP2.23
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-4-propyl-1H-pyrrole-3-carboxylate
CID 55822442
methyl 5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 55821535
1-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119623871
methyl 5-[[(3R)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 94695254
methyl 5-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 55834548
1-[5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 119637574
1-[5-(3-aminopiperidine-1-carbonyl)-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone
CID 119379882
methyl 2,4-dimethyl-5-[4-(2-methylpropoxy)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 87042325
methyl 2-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-4-propyl-1H-pyrrole-3-carboxylate
CID 55832095
ethyl 5-[3-(dimethylamino)azetidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 71905912
1-[2-methyl-5-[4-[(3R)-oxolan-3-yl]piperazine-1-carbonyl]-4-propyl-1H-pyrrol-3-yl]ethanone
CID 97028010
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate (CID 60579760) is methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is CCCc1c(C(=O)N2CCC(N(C)C)CC2)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
The InChIKey is BURIRKUPQYFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-6-7-14-15(18(23)24-5)12(2)19-16(14)17(22)21-10-8-13(9-11-21)20(3)4/h13,19H,6-11H2,1-5H3.
What are the key properties of methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate?
methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 60579760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).