[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

C14H19N5O — CID 129338090

IUPAC[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cc[nH]c2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-2-18-7-8-19(14(20)11-3-4-15-9-11)10-12(18)13-16-5-6-17-13/h3-6,9,12,15H,2,7-8,10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyTZNCQAUMUHDJTP-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds3

About [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 129338090) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID129338090
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2cc[nH]c2)C[C@H]1c1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-2-18-7-8-19(14(20)11-3-4-15-9-11)10-12(18)13-16-5-6-17-13/h3-6,9,12,15H,2,7-8,10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyTZNCQAUMUHDJTP-LBPRGKRZSA-N
XLogP1.26
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 129338090) is [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is CCN1CCN(C(=O)c2cc[nH]c2)C[C@H]1c1ncc[nH]1.
What is the InChIKey of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is TZNCQAUMUHDJTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-18-7-8-19(14(20)11-3-4-15-9-11)10-12(18)13-16-5-6-17-13/h3-6,9,12,15H,2,7-8,10H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 129338090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).