ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate

C16H24N2O3 — CID 97240405

IUPACethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C16H24N2O3/c1-3-21-15(19)9-8-13-6-4-11-18(12-13)16(20)14-7-5-10-17(14)2/h5,7,10,13H,3-4,6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyQBZOXSRLXATSCO-ZDUSSCGKSA-N
MW292.38 g/mol
LogP2.22
Rot. Bonds5

About ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate

ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate (PubChem CID 97240405) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate
PubChem CID97240405
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C16H24N2O3/c1-3-21-15(19)9-8-13-6-4-11-18(12-13)16(20)14-7-5-10-17(14)2/h5,7,10,13H,3-4,6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyQBZOXSRLXATSCO-ZDUSSCGKSA-N
XLogP2.22
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
[4-[[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097621
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
ethyl (3S)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 115535626
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 122132437
ethyl 3-[(3R)-1-[6-(2-chlorophenyl)sulfanylpyridazine-3-carbonyl]piperidin-3-yl]propanoate
CID 97240402
ethyl 5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-4-carboxylate
CID 126831834
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate?
The IUPAC name of ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate (CID 97240405) is ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate is CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cccn2C)C1.
What is the InChIKey of ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate?
The InChIKey is QBZOXSRLXATSCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-15(19)9-8-13-6-4-11-18(12-13)16(20)14-7-5-10-17(14)2/h5,7,10,13H,3-4,6,8-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate?
ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate has a molecular weight of 292.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate is sourced from PubChem (CID 97240405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).