(3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

C15H23N3O2 — CID 96566875

IUPAC(3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H23N3O2/c1-2-14(19)18-10-5-6-13(12-18)15(20)16-7-11-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeySHRSGYUIKITEGE-ZDUSSCGKSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds5

About (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

(3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 96566875) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
PubChem CID96566875
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCCn2cccc2)C1
InChIInChI=1S/C15H23N3O2/c1-2-14(19)18-10-5-6-13(12-18)15(20)16-7-11-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeySHRSGYUIKITEGE-ZDUSSCGKSA-N
XLogP1.25
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (CID 96566875) is (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is CCC(=O)N1CCC[C@H](C(=O)NCCn2cccc2)C1.
What is the InChIKey of (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is SHRSGYUIKITEGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-14(19)18-10-5-6-13(12-18)15(20)16-7-11-17-8-3-4-9-17/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
(3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propanoyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96566875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).