5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile

C15H20N4O — CID 125130874

IUPAC5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1
InChIInChI=1S/C15H20N4O/c16-9-12-8-14(17-10-12)15(20)19-7-4-13(11-19)18-5-2-1-3-6-18/h8,10,13,17H,1-7,11H2/t13-/m0/s1
InChIKeyAMGRUOZBDUZPOM-ZDUSSCGKSA-N
MW272.35 g/mol
LogP1.59
Rot. Bonds2

About 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile

5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile (PubChem CID 125130874) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
PubChem CID125130874
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1
InChIInChI=1S/C15H20N4O/c16-9-12-8-14(17-10-12)15(20)19-7-4-13(11-19)18-5-2-1-3-6-18/h8,10,13,17H,1-7,11H2/t13-/m0/s1
InChIKeyAMGRUOZBDUZPOM-ZDUSSCGKSA-N
XLogP1.59
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 125170629
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-1H-pyrrole-3-carbonitrile
CID 71861409
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
CID 63515337
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
5-[(3S)-3-(3,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 96570569
(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 61114248
4-[4-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]phenoxy]benzonitrile
CID 24794508
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-1H-pyrrole-3-carbonitrile
CID 127403442
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
5-(6-hydroxy-4-propyl-1,4-diazepane-1-carbonyl)-1H-pyrrole-3-carbonitrile
CID 74234065
5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 71856507
5-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1H-pyrrole-3-carbonitrile
CID 126439587

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile (CID 125130874) is 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile is N#Cc1c[nH]c(C(=O)N2CC[C@H](N3CCCCC3)C2)c1.
What is the InChIKey of 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
The InChIKey is AMGRUOZBDUZPOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O/c16-9-12-8-14(17-10-12)15(20)19-7-4-13(11-19)18-5-2-1-3-6-18/h8,10,13,17H,1-7,11H2/t13-/m0/s1.
What are the key properties of 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile?
5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-piperidin-1-ylpyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 125130874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).