(2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide

C20H32N4O2 — CID 91793143

IUPAC(2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN1CCN(CCOc2ccc(CN3CCC[C@H]3C(N)=O)cc2)CC1
InChIInChI=1S/C20H32N4O2/c1-2-22-10-12-23(13-11-22)14-15-26-18-7-5-17(6-8-18)16-24-9-3-4-19(24)20(21)25/h5-8,19H,2-4,9-16H2,1H3,(H2,21,25)/t19-/m0/s1
InChIKeyUKOKSNIEHYPJIP-IBGZPJMESA-N
MW360.50 g/mol
LogP1.15
Rot. Bonds8

About (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 91793143) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID91793143
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name(2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCN1CCN(CCOc2ccc(CN3CCC[C@H]3C(N)=O)cc2)CC1
InChIInChI=1S/C20H32N4O2/c1-2-22-10-12-23(13-11-22)14-15-26-18-7-5-17(6-8-18)16-24-9-3-4-19(24)20(21)25/h5-8,19H,2-4,9-16H2,1H3,(H2,21,25)/t19-/m0/s1
InChIKeyUKOKSNIEHYPJIP-IBGZPJMESA-N
XLogP1.15
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide (CID 91793143) is (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide is CCN1CCN(CCOc2ccc(CN3CCC[C@H]3C(N)=O)cc2)CC1.
What is the InChIKey of (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is UKOKSNIEHYPJIP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32N4O2/c1-2-22-10-12-23(13-11-22)14-15-26-18-7-5-17(6-8-18)16-24-9-3-4-19(24)20(21)25/h5-8,19H,2-4,9-16H2,1H3,(H2,21,25)/t19-/m0/s1.
What are the key properties of (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91793143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).